N-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide

C15H17N3O2 — CID 82030532

IUPACN-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide
SMILESCC(C)(C(=O)Nc1cccc(N)c1)n1ccc(=O)cc1
InChIInChI=1S/C15H17N3O2/c1-15(2,18-8-6-13(19)7-9-18)14(20)17-12-5-3-4-11(16)10-12/h3-10H,16H2,1-2H3,(H,17,20)
InChIKeyYKJFUDIVEHKAML-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.80
Rot. Bonds3

About N-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide

N-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide (PubChem CID 82030532) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide
PubChem CID82030532
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide
SMILESCC(C)(C(=O)Nc1cccc(N)c1)n1ccc(=O)cc1
InChIInChI=1S/C15H17N3O2/c1-15(2,18-8-6-13(19)7-9-18)14(20)17-12-5-3-4-11(16)10-12/h3-10H,16H2,1-2H3,(H,17,20)
InChIKeyYKJFUDIVEHKAML-UHFFFAOYSA-N
XLogP1.80
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
N-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide
CID 92939420
2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-pyrrol-1-ylpropanamide
CID 131914007
N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995366
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-[(3-aminophenyl)carbamoyl]acetamide
CID 86767324
N-(3-aminophenyl)-2-tert-butylsulfinylacetamide
CID 61304416
methyl 4-(3-aminoanilino)-2,2-dimethyl-4-oxobutanoate
CID 13456459
tert-butyl 2-[2-(3-aminoanilino)-2-oxoethyl]sulfanylacetate
CID 116686812
1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea
CID 61222902
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide (CID 82030532) is N-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide is CC(C)(C(=O)Nc1cccc(N)c1)n1ccc(=O)cc1.
What is the InChIKey of N-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide?
The InChIKey is YKJFUDIVEHKAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(2,18-8-6-13(19)7-9-18)14(20)17-12-5-3-4-11(16)10-12/h3-10H,16H2,1-2H3,(H,17,20).
What are the key properties of N-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide?
N-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide has a molecular weight of 271.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-methyl-2-(4-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 82030532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).