N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide

C19H23N3O2 — CID 109195667

IUPACN-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(NCCC(C)C)cn2)cc1
InChIInChI=1S/C19H23N3O2/c1-13(2)10-11-20-17-8-9-18(21-12-17)19(24)22-16-6-4-15(5-7-16)14(3)23/h4-9,12-13,20H,10-11H2,1-3H3,(H,22,24)
InChIKeyDOEHBHHCHNELOT-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.99
Rot. Bonds7

About N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide

N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide (PubChem CID 109195667) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
PubChem CID109195667
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(NCCC(C)C)cn2)cc1
InChIInChI=1S/C19H23N3O2/c1-13(2)10-11-20-17-8-9-18(21-12-17)19(24)22-16-6-4-15(5-7-16)14(3)23/h4-9,12-13,20H,10-11H2,1-3H3,(H,22,24)
InChIKeyDOEHBHHCHNELOT-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-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195666
5-(3-methylbutylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195665
N-(3,4-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195700
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
5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109195683
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892
5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181147
5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109180889
N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195688
4-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]benzamide
CID 113030264

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide (CID 109195667) is N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(NCCC(C)C)cn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
The InChIKey is DOEHBHHCHNELOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)10-11-20-17-8-9-18(21-12-17)19(24)22-16-6-4-15(5-7-16)14(3)23/h4-9,12-13,20H,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide?
N-(4-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-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109195667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).