6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide

C13H12BrN3O — CID 62151975

IUPAC6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(N)nc1
InChIInChI=1S/C13H12BrN3O/c1-8-6-10(14)3-4-11(8)17-13(18)9-2-5-12(15)16-7-9/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeySXMZWRFQTDSAMR-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.99
Rot. Bonds2

About 6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide

6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide (PubChem CID 62151975) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
PubChem CID62151975
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(N)nc1
InChIInChI=1S/C13H12BrN3O/c1-8-6-10(14)3-4-11(8)17-13(18)9-2-5-12(15)16-7-9/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeySXMZWRFQTDSAMR-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

6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide
CID 114261542
6-amino-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 62155556
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide
CID 62901139
6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 107630962
6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 55036943
6-amino-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 62059203
N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161206
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
CID 107793435
3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide
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6-amino-N-(2-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 62155431

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide (CID 62151975) is 6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide is Cc1cc(Br)ccc1NC(=O)c1ccc(N)nc1.
What is the InChIKey of 6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide?
The InChIKey is SXMZWRFQTDSAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-6-10(14)3-4-11(8)17-13(18)9-2-5-12(15)16-7-9/h2-7H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide?
6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-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-(4-bromo-2-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 62151975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).