N-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide

C17H21N3O2 — CID 82031832

IUPACN-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide
SMILESCc1cccn(C(C(=O)Nc2cccc(N)c2)C(C)C)c1=O
InChIInChI=1S/C17H21N3O2/c1-11(2)15(20-9-5-6-12(3)17(20)22)16(21)19-14-8-4-7-13(18)10-14/h4-11,15H,18H2,1-3H3,(H,19,21)
InChIKeySBPPSTHXMCSSNO-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.57
Rot. Bonds4

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

N-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide (PubChem CID 82031832) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide
PubChem CID82031832
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide
SMILESCc1cccn(C(C(=O)Nc2cccc(N)c2)C(C)C)c1=O
InChIInChI=1S/C17H21N3O2/c1-11(2)15(20-9-5-6-12(3)17(20)22)16(21)19-14-8-4-7-13(18)10-14/h4-11,15H,18H2,1-3H3,(H,19,21)
InChIKeySBPPSTHXMCSSNO-UHFFFAOYSA-N
XLogP2.57
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.57
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)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
CID 82224642
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-(3-aminophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
CID 63172233
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)-2-(1,4-diazepan-1-yl)-3-methylbutanamide
CID 82224664
N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide
CID 66083868
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
N-(3-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide
CID 82031828
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 43584975

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide?
The IUPAC name of N-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide (CID 82031832) is N-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide?
The canonical SMILES for N-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide is Cc1cccn(C(C(=O)Nc2cccc(N)c2)C(C)C)c1=O.
What is the InChIKey of N-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide?
The InChIKey is SBPPSTHXMCSSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11(2)15(20-9-5-6-12(3)17(20)22)16(21)19-14-8-4-7-13(18)10-14/h4-11,15H,18H2,1-3H3,(H,19,21).
What are the key properties of N-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide?
N-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide has a molecular weight of 299.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-methyl-2-(3-methyl-2-oxo-1-pyridinyl)butanamide is sourced from PubChem (CID 82031832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).