5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide

C13H12BrN3O — CID 114700611

IUPAC5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCc1cnccc1CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H12BrN3O/c1-9-5-15-3-2-10(9)7-17-13(18)11-4-12(14)8-16-6-11/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyIZGICFMRPHLXQG-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.48
Rot. Bonds3

About 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide

5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 114700611) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID114700611
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCc1cnccc1CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H12BrN3O/c1-9-5-15-3-2-10(9)7-17-13(18)11-4-12(14)8-16-6-11/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyIZGICFMRPHLXQG-UHFFFAOYSA-N
XLogP2.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104956264
4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700251
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700595
2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700594
4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700612
5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide
CID 25316377
5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 32602395
5-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701879
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 114700584
3-carbamothioyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700470

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide (CID 114700611) is 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide is Cc1cnccc1CNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is IZGICFMRPHLXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-9-5-15-3-2-10(9)7-17-13(18)11-4-12(14)8-16-6-11/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide?
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 114700611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).