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

C31H29N3O3 — CID 55384780

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C31H29N3O3/c1-22-28(23(2)33-31(36)29(22)19-32)17-18-30(35)34(26-11-7-4-8-12-26)20-24-13-15-27(16-14-24)37-21-25-9-5-3-6-10-25/h3-16H,17-18,20-21H2,1-2H3,(H,33,36)
InChIKeyRNQNUPLYTREDCJ-UHFFFAOYSA-N
MW491.59 g/mol
LogP5.61
Rot. Bonds9

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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide (PubChem CID 55384780) has the molecular formula C31H29N3O3 and a molecular weight of 491.59 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide
PubChem CID55384780
Molecular FormulaC31H29N3O3
Molecular Weight491.59 g/mol
Exact Mass491.22
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C31H29N3O3/c1-22-28(23(2)33-31(36)29(22)19-32)17-18-30(35)34(26-11-7-4-8-12-26)20-24-13-15-27(16-14-24)37-21-25-9-5-3-6-10-25/h3-16H,17-18,20-21H2,1-2H3,(H,33,36)
InChIKeyRNQNUPLYTREDCJ-UHFFFAOYSA-N
XLogP5.61
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenylpropanamide
CID 78808431
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784081
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 46654987
2-phenylethyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 78808897
N-[2-(4-chlorophenoxy)ethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide
CID 9115069
N-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide
CID 134016193
2-(4-chlorophenoxy)ethyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784231
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide
CID 46546542
9H-fluoren-9-yl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784313
(3-chlorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784052
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 55385525
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784389

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide (CID 55384780) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide?
The InChIKey is RNQNUPLYTREDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O3/c1-22-28(23(2)33-31(36)29(22)19-32)17-18-30(35)34(26-11-7-4-8-12-26)20-24-13-15-27(16-14-24)37-21-25-9-5-3-6-10-25/h3-16H,17-18,20-21H2,1-2H3,(H,33,36).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide has a molecular weight of 491.59 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 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-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 55384780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).