3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide

C19H21N3O2 — CID 7530469

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1
InChIInChI=1S/C19H21N3O2/c1-12-4-6-15(7-5-12)11-21-18(23)9-8-16-13(2)17(10-20)19(24)22-14(16)3/h4-7H,8-9,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyGZVKNGKXCDJWMC-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.42
Rot. Bonds5

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 7530469) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID7530469
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1
InChIInChI=1S/C19H21N3O2/c1-12-4-6-15(7-5-12)11-21-18(23)9-8-16-13(2)17(10-20)19(24)22-14(16)3/h4-7H,8-9,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyGZVKNGKXCDJWMC-UHFFFAOYSA-N
XLogP2.42
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide (CID 7530469) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is GZVKNGKXCDJWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-4-6-15(7-5-12)11-21-18(23)9-8-16-13(2)17(10-20)19(24)22-14(16)3/h4-7H,8-9,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 323.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 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-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 7530469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).