6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

C16H14BrN3O — CID 118113923

IUPAC6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cn2cc(Br)ccc2n1
InChIInChI=1S/C16H14BrN3O/c1-11-4-2-3-5-12(11)8-18-16(21)14-10-20-9-13(17)6-7-15(20)19-14/h2-7,9-10H,8H2,1H3,(H,18,21)
InChIKeyDPBYIELUNNXSSQ-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.34
Rot. Bonds3

About 6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 118113923) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID118113923
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cn2cc(Br)ccc2n1
InChIInChI=1S/C16H14BrN3O/c1-11-4-2-3-5-12(11)8-18-16(21)14-10-20-9-13(17)6-7-15(20)19-14/h2-7,9-10H,8H2,1H3,(H,18,21)
InChIKeyDPBYIELUNNXSSQ-UHFFFAOYSA-N
XLogP3.34
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride
CID 47062124
N-[(2,4,6-trimethylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051271
N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703963
N-[(2,4-difluorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051416
2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 171146460
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211
6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 54944461
lithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 155821079
6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 62237451
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
CID 17418457
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
CID 55975866
6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346974

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 118113923) is 6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1ccccc1CNC(=O)c1cn2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is DPBYIELUNNXSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-11-4-2-3-5-12(11)8-18-16(21)14-10-20-9-13(17)6-7-15(20)19-14/h2-7,9-10H,8H2,1H3,(H,18,21).
What are the key properties of 6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 118113923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).