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

C19H13BrN4O — CID 109178790

IUPACN-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
SMILESN#Cc1cccc(Nc2cc(C(=O)Nc3ccccc3Br)ccn2)c1
InChIInChI=1S/C19H13BrN4O/c20-16-6-1-2-7-17(16)24-19(25)14-8-9-22-18(11-14)23-15-5-3-4-13(10-15)12-21/h1-11H,(H,22,23)(H,24,25)
InChIKeyGOXMRWZKFGBGOO-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.71
Rot. Bonds4

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

N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide (PubChem CID 109178790) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
PubChem CID109178790
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC NameN-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
SMILESN#Cc1cccc(Nc2cc(C(=O)Nc3ccccc3Br)ccn2)c1
InChIInChI=1S/C19H13BrN4O/c20-16-6-1-2-7-17(16)24-19(25)14-8-9-22-18(11-14)23-15-5-3-4-13(10-15)12-21/h1-11H,(H,22,23)(H,24,25)
InChIKeyGOXMRWZKFGBGOO-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-(3-cyanoanilino)pyridine-3-carboxamide
CID 109164780
N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178798
N-(2-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177164
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
CID 109178943
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109130131
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177129
N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177184
2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109178743
2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176186
2-(2-bromoanilino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109176245
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109170782

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide (CID 109178790) is N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide is N#Cc1cccc(Nc2cc(C(=O)Nc3ccccc3Br)ccn2)c1.
What is the InChIKey of N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide?
The InChIKey is GOXMRWZKFGBGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O/c20-16-6-1-2-7-17(16)24-19(25)14-8-9-22-18(11-14)23-15-5-3-4-13(10-15)12-21/h1-11H,(H,22,23)(H,24,25).
What are the key properties of N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide?
N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-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)-2-(3-cyanoanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109178790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).