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

C16H15Cl2N3O2 — CID 14639186

IUPAC2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCNC(=O)c1cccnc1Cl
InChIInChI=1S/C16H15Cl2N3O2/c17-12-5-3-11(4-6-12)10-14(22)19-8-9-21-16(23)13-2-1-7-20-15(13)18/h1-7H,8-10H2,(H,19,22)(H,21,23)
InChIKeyLLSCSQCMHPGTSA-UHFFFAOYSA-N
MW352.22 g/mol
LogP2.48
Rot. Bonds6

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

2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 14639186) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID14639186
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCNC(=O)c1cccnc1Cl
InChIInChI=1S/C16H15Cl2N3O2/c17-12-5-3-11(4-6-12)10-14(22)19-8-9-21-16(23)13-2-1-7-20-15(13)18/h1-7H,8-10H2,(H,19,22)(H,21,23)
InChIKeyLLSCSQCMHPGTSA-UHFFFAOYSA-N
XLogP2.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 52.48
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-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
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-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
CID 108573158
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
CID 19791110
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
CID 8990920
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-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide (CID 14639186) is 2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide is O=C(Cc1ccc(Cl)cc1)NCCNC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is LLSCSQCMHPGTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-12-5-3-11(4-6-12)10-14(22)19-8-9-21-16(23)13-2-1-7-20-15(13)18/h1-7H,8-10H2,(H,19,22)(H,21,23).
What are the key properties of 2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide?
2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 352.22 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 14639186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).