3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide

C13H12BrN3O — CID 150802976

IUPAC3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide
SMILESCNc1cc(NC(=O)c2cccc(Br)c2)ccn1
InChIInChI=1S/C13H12BrN3O/c1-15-12-8-11(5-6-16-12)17-13(18)9-3-2-4-10(14)7-9/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyKGGNLMZNCWXOSG-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.14
Rot. Bonds3

About 3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide

3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide (PubChem CID 150802976) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide
PubChem CID150802976
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide
SMILESCNc1cc(NC(=O)c2cccc(Br)c2)ccn1
InChIInChI=1S/C13H12BrN3O/c1-15-12-8-11(5-6-16-12)17-13(18)9-3-2-4-10(14)7-9/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyKGGNLMZNCWXOSG-UHFFFAOYSA-N
XLogP3.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
2-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 79240155
N-(3,5-dimethylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62167632
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
N-[2-(methylamino)-4-pyridinyl]acetamide
CID 118178199
N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 55046905
2-(methylamino)-N-quinolin-6-ylpyridine-4-carboxamide
CID 62640761
N-(4-bromo-3-methoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 82859455
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 122298143
3-bromo-N-(4-nitro-2-pyridinyl)benzamide
CID 3011463

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide (CID 150802976) is 3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide is CNc1cc(NC(=O)c2cccc(Br)c2)ccn1.
What is the InChIKey of 3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide?
The InChIKey is KGGNLMZNCWXOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-15-12-8-11(5-6-16-12)17-13(18)9-3-2-4-10(14)7-9/h2-8H,1H3,(H2,15,16,17,18).
What are the key properties of 3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide?
3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide has a molecular weight of 306.16 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide is sourced from PubChem (CID 150802976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).