3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide

C20H29N3O2 — CID 99773960

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C20H29N3O2/c1-12-7-6-8-13(2)19(12)23(5)18(24)10-9-16-14(3)17(11-21)20(25)22-15(16)4/h12-13,19H,6-10H2,1-5H3,(H,22,25)/t12-,13+,19?
InChIKeyYZFDQWPDMUUBNQ-ZHZUQJFRSA-N
MW343.47 g/mol
LogP3.08
Rot. Bonds4

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide (PubChem CID 99773960) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide
PubChem CID99773960
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C20H29N3O2/c1-12-7-6-8-13(2)19(12)23(5)18(24)10-9-16-14(3)17(11-21)20(25)22-15(16)4/h12-13,19H,6-10H2,1-5H3,(H,22,25)/t12-,13+,19?
InChIKeyYZFDQWPDMUUBNQ-ZHZUQJFRSA-N
XLogP3.08
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide (CID 99773960) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide?
The InChIKey is YZFDQWPDMUUBNQ-ZHZUQJFRSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-12-7-6-8-13(2)19(12)23(5)18(24)10-9-16-14(3)17(11-21)20(25)22-15(16)4/h12-13,19H,6-10H2,1-5H3,(H,22,25)/t12-,13+,19?.
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide has a molecular weight of 343.47 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(2R,6S)-2,6-dimethylcyclohexyl]-N-methylpropanamide is sourced from PubChem (CID 99773960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).