N-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide

C14H11BrN4O — CID 107801255

IUPACN-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)Nc2cc(Br)ccc2C#N)n1
InChIInChI=1S/C14H11BrN4O/c1-17-13-4-2-3-11(18-13)14(20)19-12-7-10(15)6-5-9(12)8-16/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyIJQOAJYWJGDGDB-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.01
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide

N-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide (PubChem CID 107801255) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide
PubChem CID107801255
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC NameN-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)Nc2cc(Br)ccc2C#N)n1
InChIInChI=1S/C14H11BrN4O/c1-17-13-4-2-3-11(18-13)14(20)19-12-7-10(15)6-5-9(12)8-16/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyIJQOAJYWJGDGDB-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

N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 107801225
N-(4-bromo-2-ethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 81287386
N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(2-cyano-3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62240838
N-(5-bromo-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 62238936
N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
CID 107801239
N-(5-bromo-2-cyanophenyl)-3-hydroxybenzamide
CID 107798309
N-(3-bromo-2-methylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 107630995
N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 104880179
N-(2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239776
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
CID 104880244

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide (CID 107801255) is N-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide is CNc1cccc(C(=O)Nc2cc(Br)ccc2C#N)n1.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is IJQOAJYWJGDGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-17-13-4-2-3-11(18-13)14(20)19-12-7-10(15)6-5-9(12)8-16/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide?
N-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-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-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 107801255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).