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

C13H9BrN4O — CID 107793711

IUPAC2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccnc2N)c(Br)c1
InChIInChI=1S/C13H9BrN4O/c14-10-6-8(7-15)3-4-11(10)18-13(19)9-2-1-5-17-12(9)16/h1-6H,(H2,16,17)(H,18,19)
InChIKeyGSGULQBDHCXCMA-UHFFFAOYSA-N
MW317.15 g/mol
LogP2.55
Rot. Bonds2

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

2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide (PubChem CID 107793711) has the molecular formula C13H9BrN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide
PubChem CID107793711
Molecular FormulaC13H9BrN4O
Molecular Weight317.15 g/mol
Exact Mass316.00
IUPAC Name2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccnc2N)c(Br)c1
InChIInChI=1S/C13H9BrN4O/c14-10-6-8(7-15)3-4-11(10)18-13(19)9-2-1-5-17-12(9)16/h1-6H,(H2,16,17)(H,18,19)
InChIKeyGSGULQBDHCXCMA-UHFFFAOYSA-N
XLogP2.55
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 107793732
5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136
3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide
CID 106544569
N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
CID 103817725
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide
CID 107796812
3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide
CID 107796825
2-amino-N-(2,4,6-tribromophenyl)pyridine-3-carboxamide
CID 62156294
N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107793977
3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide
CID 114002425
6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107792674
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide (CID 107793711) is 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2cccnc2N)c(Br)c1.
What is the InChIKey of 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is GSGULQBDHCXCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O/c14-10-6-8(7-15)3-4-11(10)18-13(19)9-2-1-5-17-12(9)16/h1-6H,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide?
2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide has a molecular weight of 317.15 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 107793711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).