4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide

C13H12BrN3O — CID 62153202

IUPAC4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)ccn2)c(Br)c1
InChIInChI=1S/C13H12BrN3O/c1-8-2-3-11(10(14)6-8)17-13(18)12-7-9(15)4-5-16-12/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyKDDGRZCLGRNRGE-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.99
Rot. Bonds2

About 4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide

4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide (PubChem CID 62153202) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
PubChem CID62153202
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)ccn2)c(Br)c1
InChIInChI=1S/C13H12BrN3O/c1-8-2-3-11(10(14)6-8)17-13(18)12-7-9(15)4-5-16-12/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyKDDGRZCLGRNRGE-UHFFFAOYSA-N
XLogP2.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 107373934
2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088863
4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
CID 109089325
N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202431
6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62239067
N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199281
4-amino-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 62155055
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
4-amino-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 62155744
N-(2-bromo-5-methylphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 82759319
N-(2-bromo-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213210
N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide
CID 91816313

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide (CID 62153202) is 4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(N)ccn2)c(Br)c1.
What is the InChIKey of 4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is KDDGRZCLGRNRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-2-3-11(10(14)6-8)17-13(18)12-7-9(15)4-5-16-12/h2-7H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide?
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62153202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).