N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide

C16H19N3O — CID 62172134

IUPACN-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2cccc(C)c2)ccn1
InChIInChI=1S/C16H19N3O/c1-3-8-17-15-11-13(7-9-18-15)16(20)19-14-6-4-5-12(2)10-14/h4-7,9-11H,3,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJOECZVGKSWULGJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.46
Rot. Bonds5

About N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide

N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 62172134) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID62172134
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2cccc(C)c2)ccn1
InChIInChI=1S/C16H19N3O/c1-3-8-17-15-11-13(7-9-18-15)16(20)19-14-6-4-5-12(2)10-14/h4-7,9-11H,3,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJOECZVGKSWULGJ-UHFFFAOYSA-N
XLogP3.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62166192
N-(2,6-dimethylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62165900
2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109173732
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 66254887
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 63670386
2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109176245
N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109170025
N-(4-phenylmethoxyphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165135
N-(5-methyl-1,3-thiazol-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 55042843

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide (CID 62172134) is N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)Nc2cccc(C)c2)ccn1.
What is the InChIKey of N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is JOECZVGKSWULGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-8-17-15-11-13(7-9-18-15)16(20)19-14-6-4-5-12(2)10-14/h4-7,9-11H,3,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide?
N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62172134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).