2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide

C18H13BrClN3O — CID 23632649

IUPAC2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cccnc1Nc1ccc(Br)cc1
InChIInChI=1S/C18H13BrClN3O/c19-12-7-9-13(10-8-12)22-17-14(4-3-11-21-17)18(24)23-16-6-2-1-5-15(16)20/h1-11H,(H,21,22)(H,23,24)
InChIKeyIWRUGNBVRAFTHD-UHFFFAOYSA-N
MW402.68 g/mol
LogP5.49
Rot. Bonds4

About 2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide

2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide (PubChem CID 23632649) has the molecular formula C18H13BrClN3O and a molecular weight of 402.68 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide
PubChem CID23632649
Molecular FormulaC18H13BrClN3O
Molecular Weight402.68 g/mol
Exact Mass400.99
IUPAC Name2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cccnc1Nc1ccc(Br)cc1
InChIInChI=1S/C18H13BrClN3O/c19-12-7-9-13(10-8-12)22-17-14(4-3-11-21-17)18(24)23-16-6-2-1-5-15(16)20/h1-11H,(H,21,22)(H,23,24)
InChIKeyIWRUGNBVRAFTHD-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

N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632653
N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632659
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658
N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23632633
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629
N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 23632776
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 118724324
2-(4-bromoanilino)-N-prop-2-ynylpyridine-3-carboxamide
CID 118126274
2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 23633001
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide (CID 23632649) is 2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide is O=C(Nc1ccccc1Cl)c1cccnc1Nc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is IWRUGNBVRAFTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN3O/c19-12-7-9-13(10-8-12)22-17-14(4-3-11-21-17)18(24)23-16-6-2-1-5-15(16)20/h1-11H,(H,21,22)(H,23,24).
What are the key properties of 2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide?
2-(4-bromoanilino)-N-(2-chlorophenyl)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 2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 23632649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).