N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide

C16H16N2O — CID 123868777

IUPACN-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide
SMILESC=C(C)c1ccc(C(=O)Nc2ccc(C)cc2)nc1
InChIInChI=1S/C16H16N2O/c1-11(2)13-6-9-15(17-10-13)16(19)18-14-7-4-12(3)5-8-14/h4-10H,1H2,2-3H3,(H,18,19)
InChIKeyWYOJVCPUMJEMOS-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.68
Rot. Bonds3

About N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide

N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide (PubChem CID 123868777) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide
PubChem CID123868777
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide
SMILESC=C(C)c1ccc(C(=O)Nc2ccc(C)cc2)nc1
InChIInChI=1S/C16H16N2O/c1-11(2)13-6-9-15(17-10-13)16(19)18-14-7-4-12(3)5-8-14/h4-10H,1H2,2-3H3,(H,18,19)
InChIKeyWYOJVCPUMJEMOS-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone
CID 45086200
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 24881805
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109188819
5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide
CID 144819073
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265724
5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109185535
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830
2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide
CID 4071461
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide (CID 123868777) is N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide is C=C(C)c1ccc(C(=O)Nc2ccc(C)cc2)nc1.
What is the InChIKey of N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide?
The InChIKey is WYOJVCPUMJEMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11(2)13-6-9-15(17-10-13)16(19)18-14-7-4-12(3)5-8-14/h4-10H,1H2,2-3H3,(H,18,19).
What are the key properties of N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide?
N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 123868777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).