N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide

C14H11BrN4O — CID 107793732

IUPACN-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)Nc1ccc(C#N)cc1Br
InChIInChI=1S/C14H11BrN4O/c1-17-13-10(3-2-6-18-13)14(20)19-12-5-4-9(8-16)7-11(12)15/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyDNFLUGSIHCRKOP-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.01
Rot. Bonds3

About N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide

N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 107793732) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID107793732
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC NameN-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)Nc1ccc(C#N)cc1Br
InChIInChI=1S/C14H11BrN4O/c1-17-13-10(3-2-6-18-13)14(20)19-12-5-4-9(8-16)7-11(12)15/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyDNFLUGSIHCRKOP-UHFFFAOYSA-N
XLogP3.01
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide
CID 107793711
N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 82704103
N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
CID 103817725
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 104725128
3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide
CID 106544569
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136
N-(2-bromo-4-chlorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 81274967
N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385118
N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 107793713
3-bromo-4-[(2-methyl-3-pyridinyl)amino]benzonitrile
CID 82797410
N-(2-bromo-4-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384019

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide (CID 107793732) is N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)Nc1ccc(C#N)cc1Br.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is DNFLUGSIHCRKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-17-13-10(3-2-6-18-13)14(20)19-12-5-4-9(8-16)7-11(12)15/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide?
N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 331.17 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 107793732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).