5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide

C18H21N3O2 — CID 109181147

IUPAC5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)NCC(C)C)nc2)cc1
InChIInChI=1S/C18H21N3O2/c1-12(2)10-20-18(23)17-9-8-16(11-19-17)21-15-6-4-14(5-7-15)13(3)22/h4-9,11-12,21H,10H2,1-3H3,(H,20,23)
InChIKeyCVQDKLOBIJJTES-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.41
Rot. Bonds6

About 5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide

5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109181147) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109181147
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)NCC(C)C)nc2)cc1
InChIInChI=1S/C18H21N3O2/c1-12(2)10-20-18(23)17-9-8-16(11-19-17)21-15-6-4-14(5-7-15)13(3)22/h4-9,11-12,21H,10H2,1-3H3,(H,20,23)
InChIKeyCVQDKLOBIJJTES-UHFFFAOYSA-N
XLogP3.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181155
5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181136
5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188694
5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181120
5-(1,3-benzodioxol-5-ylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181171
5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190232
5-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181135
N-(4-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195667
methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179188
N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109181042
5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181080
N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113035034

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109181147) is 5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide is CC(=O)c1ccc(Nc2ccc(C(=O)NCC(C)C)nc2)cc1.
What is the InChIKey of 5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is CVQDKLOBIJJTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(2)10-20-18(23)17-9-8-16(11-19-17)21-15-6-4-14(5-7-15)13(3)22/h4-9,11-12,21H,10H2,1-3H3,(H,20,23).
What are the key properties of 5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109181147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).