6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide

C14H10BrN3O — CID 66464924

IUPAC6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C14H10BrN3O/c1-9-2-3-10(7-16)6-12(9)18-14(19)11-4-5-13(15)17-8-11/h2-6,8H,1H3,(H,18,19)
InChIKeyPNBKYNQRYPKYKZ-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.28
Rot. Bonds2

About 6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide

6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide (PubChem CID 66464924) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
PubChem CID66464924
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C14H10BrN3O/c1-9-2-3-10(7-16)6-12(9)18-14(19)11-4-5-13(15)17-8-11/h2-6,8H,1H3,(H,18,19)
InChIKeyPNBKYNQRYPKYKZ-UHFFFAOYSA-N
XLogP3.28
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62907539
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
N-(5-cyano-2-methylphenyl)-3-hydroxypyridine-2-carboxamide
CID 62103587
6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 113263005
2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide
CID 106852116
N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47475999
N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 103799813
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226761
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide (CID 66464924) is 6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide is Cc1ccc(C#N)cc1NC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is PNBKYNQRYPKYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c1-9-2-3-10(7-16)6-12(9)18-14(19)11-4-5-13(15)17-8-11/h2-6,8H,1H3,(H,18,19).
What are the key properties of 6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide?
6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide has a molecular weight of 316.16 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 66464924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).