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

C13H12BrN3O — CID 62239067

IUPAC6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(N)n2)c(Br)c1
InChIInChI=1S/C13H12BrN3O/c1-8-5-6-10(9(14)7-8)17-13(18)11-3-2-4-12(15)16-11/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyNDRUUWRWKPEROE-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.99
Rot. Bonds2

About 6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide

6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide (PubChem CID 62239067) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
PubChem CID62239067
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(N)n2)c(Br)c1
InChIInChI=1S/C13H12BrN3O/c1-8-5-6-10(9(14)7-8)17-13(18)11-3-2-4-12(15)16-11/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyNDRUUWRWKPEROE-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

methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3240614
ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 5169363
5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 107373934
N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239243
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62153202
N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313868
6-amino-N-(2-bromo-3-chlorophenyl)pyridine-2-carboxamide
CID 103481383
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
6-amino-N-(5-bromo-2-fluorophenyl)pyridine-2-carboxamide
CID 62239299
6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
CID 107631403
2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide
CID 62649187
N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide (CID 62239067) is 6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cccc(N)n2)c(Br)c1.
What is the InChIKey of 6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is NDRUUWRWKPEROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-5-6-10(9(14)7-8)17-13(18)11-3-2-4-12(15)16-11/h2-7H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide?
6-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 6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62239067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).