N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide

C16H18N2O2 — CID 110725063

IUPACN-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C16H18N2O2/c1-12-3-5-13(6-4-12)7-9-15(19)17-14-8-10-16(20)18(2)11-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,19)
InChIKeyJIEIBOSCKFIMON-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.27
Rot. Bonds4

About N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide

N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide (PubChem CID 110725063) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide
PubChem CID110725063
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C16H18N2O2/c1-12-3-5-13(6-4-12)7-9-15(19)17-14-8-10-16(20)18(2)11-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,19)
InChIKeyJIEIBOSCKFIMON-UHFFFAOYSA-N
XLogP2.27
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 80700526
3-(3-methoxyphenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 110725062
4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 63307637
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110778944
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 106910048
6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide
CID 54863045
3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 37154032
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110721777
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide
CID 24555609

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide (CID 110725063) is N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(=O)n(C)c2)cc1.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide?
The InChIKey is JIEIBOSCKFIMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-3-5-13(6-4-12)7-9-15(19)17-14-8-10-16(20)18(2)11-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,19).
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide?
N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide has a molecular weight of 270.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110725063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).