N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide

C15H14ClN3O2 — CID 81229372

IUPACN-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cnccc1Cl)NCc1ccccc1
InChIInChI=1S/C15H14ClN3O2/c16-13-6-7-17-9-12(13)15(21)19-10-14(20)18-8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,18,20)(H,19,21)
InChIKeyCWWMSBJFJBOWHI-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.78
Rot. Bonds5

About N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide

N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide (PubChem CID 81229372) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide
PubChem CID81229372
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cnccc1Cl)NCc1ccccc1
InChIInChI=1S/C15H14ClN3O2/c16-13-6-7-17-9-12(13)15(21)19-10-14(20)18-8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,18,20)(H,19,21)
InChIKeyCWWMSBJFJBOWHI-UHFFFAOYSA-N
XLogP1.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide 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

N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114616643
2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 112993068
4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
CID 81225012
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide
CID 112993143
N-[2-(benzylamino)-2-oxoethyl]-2-(1,7-naphthyridin-4-ylamino)acetamide
CID 166349219
4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
N-[2-(benzylamino)-2-oxoethyl]-2H-triazole-4-carboxamide
CID 47262469
2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 46415948
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
N-benzyl-2-(pyrazin-2-ylmethylamino)acetamide
CID 62763065

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide (CID 81229372) is N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide is O=C(CNC(=O)c1cnccc1Cl)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide?
The InChIKey is CWWMSBJFJBOWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-13-6-7-17-9-12(13)15(21)19-10-14(20)18-8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide?
N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-4-chloropyridine-3-carboxamide is sourced from PubChem (CID 81229372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).