5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C15H16BrN3O — CID 62166425

IUPAC5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C15H16BrN3O/c1-10-3-5-11(6-4-10)8-19-15(20)13-7-12(16)9-18-14(13)17-2/h3-7,9H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJTLOYRSDDMMOFW-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.12
Rot. Bonds4

About 5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 62166425) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID62166425
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C15H16BrN3O/c1-10-3-5-11(6-4-10)8-19-15(20)13-7-12(16)9-18-14(13)17-2/h3-7,9H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJTLOYRSDDMMOFW-UHFFFAOYSA-N
XLogP3.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62248877
5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 63825797
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 106049939
5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
5-bromo-N-(2-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62165434
5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113466911
5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62185046
5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide
CID 116788035
5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047194
5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide
CID 62172702
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
CID 83022924

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 62166425) is 5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is JTLOYRSDDMMOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-3-5-11(6-4-10)8-19-15(20)13-7-12(16)9-18-14(13)17-2/h3-7,9H,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 62166425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).