N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide

C18H12BrCl2N3O — CID 23632625

IUPACN-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H12BrCl2N3O/c19-11-3-5-12(6-4-11)24-18(25)14-2-1-9-22-17(14)23-13-7-8-15(20)16(21)10-13/h1-10H,(H,22,23)(H,24,25)
InChIKeyFRCNUZJKHHUPJS-UHFFFAOYSA-N
MW437.12 g/mol
LogP6.15
Rot. Bonds4

About N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide

N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide (PubChem CID 23632625) has the molecular formula C18H12BrCl2N3O and a molecular weight of 437.12 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
PubChem CID23632625
Molecular FormulaC18H12BrCl2N3O
Molecular Weight437.12 g/mol
Exact Mass434.95
IUPAC NameN-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H12BrCl2N3O/c19-11-3-5-12(6-4-11)24-18(25)14-2-1-9-22-17(14)23-13-7-8-15(20)16(21)10-13/h1-10H,(H,22,23)(H,24,25)
InChIKeyFRCNUZJKHHUPJS-UHFFFAOYSA-N
XLogP6.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.12
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632653
N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23632633
2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 23632649
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 23632949
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632728
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 23632578
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide (CID 23632625) is N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide?
The InChIKey is FRCNUZJKHHUPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrCl2N3O/c19-11-3-5-12(6-4-11)24-18(25)14-2-1-9-22-17(14)23-13-7-8-15(20)16(21)10-13/h1-10H,(H,22,23)(H,24,25).
What are the key properties of N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide?
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide has a molecular weight of 437.12 g/mol, XLogP of 6.15, 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-(3,4-dichloroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 23632625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).