3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide

C15H16BrN3O — CID 107519162

IUPAC3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCCN(Cc1cccc(C)n1)C(=O)c1ncccc1Br
InChIInChI=1S/C15H16BrN3O/c1-3-19(10-12-7-4-6-11(2)18-12)15(20)14-13(16)8-5-9-17-14/h4-9H,3,10H2,1-2H3
InChIKeyIONADPDETVSVQF-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.21
Rot. Bonds4

About 3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide

3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 107519162) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID107519162
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCCN(Cc1cccc(C)n1)C(=O)c1ncccc1Br
InChIInChI=1S/C15H16BrN3O/c1-3-19(10-12-7-4-6-11(2)18-12)15(20)14-13(16)8-5-9-17-14/h4-9H,3,10H2,1-2H3
InChIKeyIONADPDETVSVQF-UHFFFAOYSA-N
XLogP3.21
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 103890041
3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide
CID 107526189
3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518452
3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107518835
methyl 2-[(3-bromopyridine-2-carbonyl)-ethylamino]acetate
CID 107518830
N-ethyl-2-fluoro-6-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104918138
3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 107518180
3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide
CID 107517815
3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 114145142
1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115686651
3-bromo-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 107517745
(2R)-2-amino-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pentanamide
CID 113267614

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide (CID 107519162) is 3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide is CCN(Cc1cccc(C)n1)C(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is IONADPDETVSVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-3-19(10-12-7-4-6-11(2)18-12)15(20)14-13(16)8-5-9-17-14/h4-9H,3,10H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide?
3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107519162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).