N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide

C19H23N3O2 — CID 109195666

IUPACN-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(NCCC(C)C)cn2)c1
InChIInChI=1S/C19H23N3O2/c1-13(2)9-10-20-17-7-8-18(21-12-17)19(24)22-16-6-4-5-15(11-16)14(3)23/h4-8,11-13,20H,9-10H2,1-3H3,(H,22,24)
InChIKeySXGHOKLJPJTUJQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.99
Rot. Bonds7

About N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide

N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide (PubChem CID 109195666) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
PubChem CID109195666
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(NCCC(C)C)cn2)c1
InChIInChI=1S/C19H23N3O2/c1-13(2)9-10-20-17-7-8-18(21-12-17)19(24)22-16-6-4-5-15(11-16)14(3)23/h4-8,11-13,20H,9-10H2,1-3H3,(H,22,24)
InChIKeySXGHOKLJPJTUJQ-UHFFFAOYSA-N
XLogP3.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195667
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700
N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333144
6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099391
N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195704
N-(2,6-difluorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195715
N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195662
N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191691
methyl 3-[[5-(3-methylbutylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287950
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109190131
N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 109287947
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide (CID 109195666) is N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(NCCC(C)C)cn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The InChIKey is SXGHOKLJPJTUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)9-10-20-17-7-8-18(21-12-17)19(24)22-16-6-4-5-15(11-16)14(3)23/h4-8,11-13,20H,9-10H2,1-3H3,(H,22,24).
What are the key properties of N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109195666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).