1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide

C19H18N6O — CID 37089479

IUPAC1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1cn2ccccc2n1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H18N6O/c26-19(17-14-25(23-22-17)12-15-6-2-1-3-7-15)20-10-9-16-13-24-11-5-4-8-18(24)21-16/h1-8,11,13-14H,9-10,12H2,(H,20,26)
InChIKeyYBFLEQSBBJRCBS-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.95
Rot. Bonds6

About 1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide

1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide (PubChem CID 37089479) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide
PubChem CID37089479
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1cn2ccccc2n1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H18N6O/c26-19(17-14-25(23-22-17)12-15-6-2-1-3-7-15)20-10-9-16-13-24-11-5-4-8-18(24)21-16/h1-8,11,13-14H,9-10,12H2,(H,20,26)
InChIKeyYBFLEQSBBJRCBS-UHFFFAOYSA-N
XLogP1.95
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 39191791
methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazole-4-carboxylate
CID 113231454
1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide
CID 24633183
2-benzoyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430937
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
methyl 6-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)pyridine-3-carboxylate
CID 32938785
1-benzyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 9185448
4-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429154
1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
CID 134046082
5-chloro-2-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430229
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,5-dimethoxybenzamide
CID 41463533

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide (CID 37089479) is 1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide is O=C(NCCc1cn2ccccc2n1)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide?
The InChIKey is YBFLEQSBBJRCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c26-19(17-14-25(23-22-17)12-15-6-2-1-3-7-15)20-10-9-16-13-24-11-5-4-8-18(24)21-16/h1-8,11,13-14H,9-10,12H2,(H,20,26).
What are the key properties of 1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide?
1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 37089479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).