N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide

C13H12BrN3O — CID 82861470

IUPACN-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N)c(Br)c2)cn1
InChIInChI=1S/C13H12BrN3O/c1-8-2-3-9(7-16-8)13(18)17-10-4-5-12(15)11(14)6-10/h2-7H,15H2,1H3,(H,17,18)
InChIKeyNFMXLRVBHCXRDP-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.99
Rot. Bonds2

About N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide

N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide (PubChem CID 82861470) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide
PubChem CID82861470
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N)c(Br)c2)cn1
InChIInChI=1S/C13H12BrN3O/c1-8-2-3-9(7-16-8)13(18)17-10-4-5-12(15)11(14)6-10/h2-7H,15H2,1H3,(H,17,18)
InChIKeyNFMXLRVBHCXRDP-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-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 82862313
N-(4-amino-3-bromophenyl)-3,5-dimethylbenzamide
CID 82862075
6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 55036943
methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 103957612
N-(4-amino-3-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818719
N-(3-hydroxyphenyl)-6-methylpyridine-3-carboxamide
CID 28739709
N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 113274656
N-(6-amino-2,3-dimethylphenyl)-6-methylpyridine-3-carboxamide
CID 43548085
3-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 16793648
N-(3-amino-2,6-dimethylphenyl)-6-methylpyridine-3-carboxamide
CID 24705702
propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 51331436

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide (CID 82861470) is N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(N)c(Br)c2)cn1.
What is the InChIKey of N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is NFMXLRVBHCXRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-2-3-9(7-16-8)13(18)17-10-4-5-12(15)11(14)6-10/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide?
N-(4-amino-3-bromophenyl)-6-methylpyridine-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 N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 82861470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).