2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide

C15H13Cl2N3O2 — CID 34990121

IUPAC2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1cccnc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2N3O2/c16-11-5-3-10(4-6-11)14(21)19-8-9-20-15(22)12-2-1-7-18-13(12)17/h1-7H,8-9H2,(H,19,21)(H,20,22)
InChIKeyCZBCQXFSVKMKFQ-UHFFFAOYSA-N
MW338.19 g/mol
LogP2.55
Rot. Bonds5

About 2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide

2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 34990121) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID34990121
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Name2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1cccnc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2N3O2/c16-11-5-3-10(4-6-11)14(21)19-8-9-20-15(22)12-2-1-7-18-13(12)17/h1-7H,8-9H2,(H,19,21)(H,20,22)
InChIKeyCZBCQXFSVKMKFQ-UHFFFAOYSA-N
XLogP2.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 52.55
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

N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 14639186
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
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-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
CID 19791110
(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone
CID 15135631
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide (CID 34990121) is 2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide is O=C(NCCNC(=O)c1cccnc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is CZBCQXFSVKMKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c16-11-5-3-10(4-6-11)14(21)19-8-9-20-15(22)12-2-1-7-18-13(12)17/h1-7H,8-9H2,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide?
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 338.19 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 34990121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).