5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide

C17H21N3O — CID 109225394

IUPAC5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCCC(C)Nc1cncc(C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C17H21N3O/c1-4-13(3)19-16-9-14(10-18-11-16)17(21)20-15-7-5-12(2)6-8-15/h5-11,13,19H,4H2,1-3H3,(H,20,21)
InChIKeyHJBLQJZICYUJFO-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.85
Rot. Bonds5

About 5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide

5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 109225394) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID109225394
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCCC(C)Nc1cncc(C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C17H21N3O/c1-4-13(3)19-16-9-14(10-18-11-16)17(21)20-15-7-5-12(2)6-8-15/h5-11,13,19H,4H2,1-3H3,(H,20,21)
InChIKeyHJBLQJZICYUJFO-UHFFFAOYSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(butan-2-ylamino)pyridine-3-carboxamide
CID 109225469
5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109225408
5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109225415
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797
5-N-(4-ethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107992
5-(4-ethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242019
5-N-butan-2-yl-3-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102383
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide
CID 112980469
5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223486
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide (CID 109225394) is 5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide is CCC(C)Nc1cncc(C(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of 5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is HJBLQJZICYUJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-13(3)19-16-9-14(10-18-11-16)17(21)20-15-7-5-12(2)6-8-15/h5-11,13,19H,4H2,1-3H3,(H,20,21).
What are the key properties of 5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide?
5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109225394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).