N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide

C13H12BrN3O — CID 62958589

IUPACN-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Br)cn2)cc1N
InChIInChI=1S/C13H12BrN3O/c1-8-2-4-10(6-11(8)15)17-13(18)12-5-3-9(14)7-16-12/h2-7H,15H2,1H3,(H,17,18)
InChIKeyRDTBBQSBNDBOST-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.99
Rot. Bonds2

About N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide

N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide (PubChem CID 62958589) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide
PubChem CID62958589
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Br)cn2)cc1N
InChIInChI=1S/C13H12BrN3O/c1-8-2-4-10(6-11(8)15)17-13(18)12-5-3-9(14)7-16-12/h2-7H,15H2,1H3,(H,17,18)
InChIKeyRDTBBQSBNDBOST-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908271
4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 62960045
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-(3-amino-2,6-dimethylphenyl)-5-bromopyridine-2-carboxamide
CID 62958756
N-(2-amino-4-bromo-6-methylphenyl)-5-bromopyridine-2-carboxamide
CID 55152866
N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide
CID 107937331
5-bromo-N-(3-bromo-4-methoxyphenyl)pyridine-2-carboxamide
CID 63999815
N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156908
N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide
CID 24700004
N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
CID 62958937
5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
CID 62954926
2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 115295703

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide (CID 62958589) is N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(Br)cn2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide?
The InChIKey is RDTBBQSBNDBOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-2-4-10(6-11(8)15)17-13(18)12-5-3-9(14)7-16-12/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide?
N-(3-amino-4-methylphenyl)-5-bromopyridine-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 N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide is sourced from PubChem (CID 62958589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).