5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide

C18H13Cl2N3O — CID 109244464

IUPAC5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cncc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H13Cl2N3O/c19-13-3-1-5-15(8-13)22-17-7-12(10-21-11-17)18(24)23-16-6-2-4-14(20)9-16/h1-11,22H,(H,23,24)
InChIKeyOWOFYMVMBOBNBT-UHFFFAOYSA-N
MW358.23 g/mol
LogP5.38
Rot. Bonds4

About 5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide

5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide (PubChem CID 109244464) has the molecular formula C18H13Cl2N3O and a molecular weight of 358.23 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
PubChem CID109244464
Molecular FormulaC18H13Cl2N3O
Molecular Weight358.23 g/mol
Exact Mass357.04
IUPAC Name5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cncc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H13Cl2N3O/c19-13-3-1-5-15(8-13)22-17-7-12(10-21-11-17)18(24)23-16-6-2-4-14(20)9-16/h1-11,22H,(H,23,24)
InChIKeyOWOFYMVMBOBNBT-UHFFFAOYSA-N
XLogP5.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.23
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[5-[(3-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109244492
N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109244480
5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244585
5-(3,5-dichloroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241902
N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109244496
5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109244550
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109244617
N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109244893
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
5-(3-chloroanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233349
methyl 3-[[5-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245797

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide (CID 109244464) is 5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cncc(Nc2cccc(Cl)c2)c1.
What is the InChIKey of 5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is OWOFYMVMBOBNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O/c19-13-3-1-5-15(8-13)22-17-7-12(10-21-11-17)18(24)23-16-6-2-4-14(20)9-16/h1-11,22H,(H,23,24).
What are the key properties of 5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide?
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide has a molecular weight of 358.23 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109244464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).