3-cyclopentyl-N-[6-(3-cyclopentylpropanoylamino)pyridin-2-yl]propanamide
Formula:C21H31N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-cyclopentyl-N-[6-(3-cyclopentylpropanoylamino)pyridin-2-yl]propanamide is a drug-like molecule.
| MolName | 3-cyclopentyl-N-[6-(3-cyclopentylpropanoylamino)pyridin-2-yl]propanamide |
| MolecularFormula | C21H31N3O2 |
| Smiles | O=C(CCC1CCCC1)Nc1cccc(NC(CCC2CCCC2)=O)n1 |
| InChI | InChI=1S/C21H31N3O2/c25-20(14-12-16-6-1-2-7-16)23-18-10-5-11-19(22-18)24-21(26)15-13-17-8-3-4-9-17/h5,10-11,16-17H,1-4,6-9,12-15H2,(H2,22,23,24,25,26) |
| InChIK | WJIKFTAUSAKGRP-UHFFFAOYSA-N |
| TotalMolweight | 357.496 |
| Molweight | 357.496 |
| MonoisotopicMass | 357.241627 |
| CLogP | 4.5907 |
| CLogS | -5.747 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 293.56 |
| Relative PSA | 0.20429 |
| PolarSurfaceArea | 71.09 |
| Druglikeness | -0.57828 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 14 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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