N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide

C15H14ClN3O2 — CID 38202326

IUPACN-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1cccnc1Cl)c1ccccc1
InChIInChI=1S/C15H14ClN3O2/c16-13-12(7-4-8-17-13)15(21)19-10-9-18-14(20)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyWJXTULNTUWDLJV-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.89
Rot. Bonds5

About N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide

N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide (PubChem CID 38202326) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
PubChem CID38202326
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1cccnc1Cl)c1ccccc1
InChIInChI=1S/C15H14ClN3O2/c16-13-12(7-4-8-17-13)15(21)19-10-9-18-14(20)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyWJXTULNTUWDLJV-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
2-chloro-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170601971
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 53409120
2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 14639186
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
CID 19791110
N-[(2-chloro-3-pyridinyl)methyl]benzamide
CID 90812537
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300
N-[[(2R,3R,4S)-4-(2-benzamidoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide
CID 129206718

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide (CID 38202326) is N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide is O=C(NCCNC(=O)c1cccnc1Cl)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide?
The InChIKey is WJXTULNTUWDLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-13-12(7-4-8-17-13)15(21)19-10-9-18-14(20)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,20)(H,19,21).
What are the key properties of N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide?
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 38202326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).