2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide

C17H21N3O2 — CID 45267401

IUPAC2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cccc(NCc2ccccc2)c1=O
InChIInChI=1S/C17H21N3O2/c1-13(2)19-16(21)12-20-10-6-9-15(17(20)22)18-11-14-7-4-3-5-8-14/h3-10,13,18H,11-12H2,1-2H3,(H,19,21)
InChIKeyWEBOCGSUGFBLCN-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.99
Rot. Bonds6

About 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide

2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide (PubChem CID 45267401) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide
PubChem CID45267401
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cccc(NCc2ccccc2)c1=O
InChIInChI=1S/C17H21N3O2/c1-13(2)19-16(21)12-20-10-6-9-15(17(20)22)18-11-14-7-4-3-5-8-14/h3-10,13,18H,11-12H2,1-2H3,(H,19,21)
InChIKeyWEBOCGSUGFBLCN-UHFFFAOYSA-N
XLogP1.99
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tentoxin
CID 5281143
6-Amino-1-benzyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2392273
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
6-Amino-5-benzylamino-1-butyl-1H-pyrimidine-2,4-dione
CID 2341173
N,N'-Dibenzyloxamide
CID 219253
1-Hydroxy-6-[(4-Phenylbenzyl)carbamoyl]-2-pyridinone
CID 24857924
1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 48157449
1-Benzyl-N5-cyclopropyl-N3-methyl-2-oxo-1,2-dihydropyridine-3,5-dicarboxamide
CID 126648559
5-N-cyclopropyl-3-N-methyl-2-oxo-1-[(1R)-1-phenylethyl]pyridine-3,5-dicarboxamide
CID 126676281
N-(2,2-diphenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide
CID 156009105
5-(Benzylamino)pyrimidine-2,4(1h,3h)-dione
CID 273579
(2E)-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 5720182

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide (CID 45267401) is 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cccc(NCc2ccccc2)c1=O.
What is the InChIKey of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The InChIKey is WEBOCGSUGFBLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(2)19-16(21)12-20-10-6-9-15(17(20)22)18-11-14-7-4-3-5-8-14/h3-10,13,18H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide has a molecular weight of 299.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 45267401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).