3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide

C15H17N3O2 — CID 80700526

IUPAC3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
SMILESCn1cc(NC(=O)CCc2cccc(N)c2)ccc1=O
InChIInChI=1S/C15H17N3O2/c1-18-10-13(6-8-15(18)20)17-14(19)7-5-11-3-2-4-12(16)9-11/h2-4,6,8-10H,5,7,16H2,1H3,(H,17,19)
InChIKeyIPJJBEOKDVXXKW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.54
Rot. Bonds4

About 3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide

3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide (PubChem CID 80700526) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
PubChem CID80700526
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
SMILESCn1cc(NC(=O)CCc2cccc(N)c2)ccc1=O
InChIInChI=1S/C15H17N3O2/c1-18-10-13(6-8-15(18)20)17-14(19)7-5-11-3-2-4-12(16)9-11/h2-4,6,8-10H,5,7,16H2,1H3,(H,17,19)
InChIKeyIPJJBEOKDVXXKW-UHFFFAOYSA-N
XLogP1.54
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.54
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

3-(3-methoxyphenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 110725062
N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide
CID 110725063
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 54795255
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide
CID 54795617
4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 54795591
3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813104
3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 28713584
3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
CID 28713600
4-[3-(3-aminophenyl)propanoylamino]benzenesulfonyl fluoride
CID 139270103
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide
CID 54795554
3-(2-fluorophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 47067445

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide (CID 80700526) is 3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide is Cn1cc(NC(=O)CCc2cccc(N)c2)ccc1=O.
What is the InChIKey of 3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
The InChIKey is IPJJBEOKDVXXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18-10-13(6-8-15(18)20)17-14(19)7-5-11-3-2-4-12(16)9-11/h2-4,6,8-10H,5,7,16H2,1H3,(H,17,19).
What are the key properties of 3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide has a molecular weight of 271.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide is sourced from PubChem (CID 80700526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).