N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide

C19H13BrN4O — CID 109246141

IUPACN-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide
SMILESN#Cc1ccc(Nc2cncc(C(=O)Nc3ccccc3Br)c2)cc1
InChIInChI=1S/C19H13BrN4O/c20-17-3-1-2-4-18(17)24-19(25)14-9-16(12-22-11-14)23-15-7-5-13(10-21)6-8-15/h1-9,11-12,23H,(H,24,25)
InChIKeyAPGRKHVWUYNBMO-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.71
Rot. Bonds4

About N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide

N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide (PubChem CID 109246141) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide
PubChem CID109246141
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC NameN-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide
SMILESN#Cc1ccc(Nc2cncc(C(=O)Nc3ccccc3Br)c2)cc1
InChIInChI=1S/C19H13BrN4O/c20-17-3-1-2-4-18(17)24-19(25)14-9-16(12-22-11-14)23-15-7-5-13(10-21)6-8-15/h1-9,11-12,23H,(H,24,25)
InChIKeyAPGRKHVWUYNBMO-UHFFFAOYSA-N
XLogP4.71
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164781
methyl 3-[[5-(4-cyanoanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245941
5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242069
N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109246309
5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 109241609
N-(2-cyanophenyl)-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109246343
5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232074
N-(2-bromophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223122
5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246057
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide
CID 109164780
N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241817
5-(2-bromoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241887

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide (CID 109246141) is N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide is N#Cc1ccc(Nc2cncc(C(=O)Nc3ccccc3Br)c2)cc1.
What is the InChIKey of N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide?
The InChIKey is APGRKHVWUYNBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O/c20-17-3-1-2-4-18(17)24-19(25)14-9-16(12-22-11-14)23-15-7-5-13(10-21)6-8-15/h1-9,11-12,23H,(H,24,25).
What are the key properties of N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide?
N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide has a molecular weight of 393.24 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109246141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).