N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide

C18H13BrClN3O — CID 23632629

IUPACN-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccnc1Nc1cccc(Cl)c1
InChIInChI=1S/C18H13BrClN3O/c19-12-6-8-14(9-7-12)23-18(24)16-5-2-10-21-17(16)22-15-4-1-3-13(20)11-15/h1-11H,(H,21,22)(H,23,24)
InChIKeyKVGKMSGBPLCLEB-UHFFFAOYSA-N
MW402.68 g/mol
LogP5.49
Rot. Bonds4

About N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide

N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide (PubChem CID 23632629) has the molecular formula C18H13BrClN3O and a molecular weight of 402.68 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
PubChem CID23632629
Molecular FormulaC18H13BrClN3O
Molecular Weight402.68 g/mol
Exact Mass400.99
IUPAC NameN-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccnc1Nc1cccc(Cl)c1
InChIInChI=1S/C18H13BrClN3O/c19-12-6-8-14(9-7-12)23-18(24)16-5-2-10-21-17(16)22-15-4-1-3-13(20)11-15/h1-11H,(H,21,22)(H,23,24)
InChIKeyKVGKMSGBPLCLEB-UHFFFAOYSA-N
XLogP5.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.68
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835
2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 23632949
N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23632633
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 23632649
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
3-chloroaniline;2-(3-chloroanilino)pyridine-3-carboxylic acid
CID 158959245
2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400
N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 23632609

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide (CID 23632629) is N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1cccc(Cl)c1.
What is the InChIKey of N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide?
The InChIKey is KVGKMSGBPLCLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN3O/c19-12-6-8-14(9-7-12)23-18(24)16-5-2-10-21-17(16)22-15-4-1-3-13(20)11-15/h1-11H,(H,21,22)(H,23,24).
What are the key properties of N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide?
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide has a molecular weight of 402.68 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 23632629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).