2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide

C18H21N3O2 — CID 51231530

IUPAC2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NC(C)c1ccncc1
InChIInChI=1S/C18H21N3O2/c1-13-5-3-4-6-16(13)18(23)20-12-9-17(22)21-14(2)15-7-10-19-11-8-15/h3-8,10-11,14H,9,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyJJLDRMVEUZXLKR-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.39
Rot. Bonds6

About 2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide

2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide (PubChem CID 51231530) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide
PubChem CID51231530
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NC(C)c1ccncc1
InChIInChI=1S/C18H21N3O2/c1-13-5-3-4-6-16(13)18(23)20-12-9-17(22)21-14(2)15-7-10-19-11-8-15/h3-8,10-11,14H,9,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyJJLDRMVEUZXLKR-UHFFFAOYSA-N
XLogP2.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide 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

2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide
CID 9092093
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 42702795
2-chloro-N-[3-oxo-3-[[(1S)-1-pyridin-3-ylethyl]amino]propyl]benzamide
CID 39959067
N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 41037701
3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81410608
[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate
CID 55426216
N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 51315358
2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
CID 76971075
2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide
CID 60518268
N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide
CID 42959318
3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 94149516
2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
CID 122142222

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide (CID 51231530) is 2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide is Cc1ccccc1C(=O)NCCC(=O)NC(C)c1ccncc1.
What is the InChIKey of 2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide?
The InChIKey is JJLDRMVEUZXLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-5-3-4-6-16(13)18(23)20-12-9-17(22)21-14(2)15-7-10-19-11-8-15/h3-8,10-11,14H,9,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide?
2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide has a molecular weight of 311.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide is sourced from PubChem (CID 51231530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).