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

C17H21N3O2 — CID 82031828

IUPACN-(3-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide
SMILESCCCC(C(=O)Nc1cccc(N)c1)n1ccc(C)cc1=O
InChIInChI=1S/C17H21N3O2/c1-3-5-15(20-9-8-12(2)10-16(20)21)17(22)19-14-7-4-6-13(18)11-14/h4,6-11,15H,3,5,18H2,1-2H3,(H,19,22)
InChIKeyWAQRPHUGEHKSBU-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.72
Rot. Bonds5

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

N-(3-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide (PubChem CID 82031828) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide
PubChem CID82031828
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(3-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide
SMILESCCCC(C(=O)Nc1cccc(N)c1)n1ccc(C)cc1=O
InChIInChI=1S/C17H21N3O2/c1-3-5-15(20-9-8-12(2)10-16(20)21)17(22)19-14-7-4-6-13(18)11-14/h4,6-11,15H,3,5,18H2,1-2H3,(H,19,22)
InChIKeyWAQRPHUGEHKSBU-UHFFFAOYSA-N
XLogP2.72
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide?
The IUPAC name of N-(3-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide (CID 82031828) is N-(3-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide is CCCC(C(=O)Nc1cccc(N)c1)n1ccc(C)cc1=O.
What is the InChIKey of N-(3-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide?
The InChIKey is WAQRPHUGEHKSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-5-15(20-9-8-12(2)10-16(20)21)17(22)19-14-7-4-6-13(18)11-14/h4,6-11,15H,3,5,18H2,1-2H3,(H,19,22).
What are the key properties of N-(3-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide?
N-(3-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide has a molecular weight of 299.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide is sourced from PubChem (CID 82031828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).