N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C16H18N6O2 — CID 154801893

IUPACN-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCc1nc2n(n1)CC(NC(=O)Cn1c(=O)[nH]c3ccccc31)CC2
InChIInChI=1S/C16H18N6O2/c1-10-17-14-7-6-11(8-22(14)20-10)18-15(23)9-21-13-5-3-2-4-12(13)19-16(21)24/h2-5,11H,6-9H2,1H3,(H,18,23)(H,19,24)
InChIKeySNPQUVKYESIEQS-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.36
Rot. Bonds3

About N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 154801893) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID154801893
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCc1nc2n(n1)CC(NC(=O)Cn1c(=O)[nH]c3ccccc31)CC2
InChIInChI=1S/C16H18N6O2/c1-10-17-14-7-6-11(8-22(14)20-10)18-15(23)9-21-13-5-3-2-4-12(13)19-16(21)24/h2-5,11H,6-9H2,1H3,(H,18,23)(H,19,24)
InChIKeySNPQUVKYESIEQS-UHFFFAOYSA-N
XLogP0.36
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide
CID 166185368
N-(3-methylpiperidin-4-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 120553598
N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
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4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide
CID 166185767
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
CID 95344349
4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide
CID 154797764
2-methyl-2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
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N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248
1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanone
CID 95612124
N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 154801893) is N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is Cc1nc2n(n1)CC(NC(=O)Cn1c(=O)[nH]c3ccccc31)CC2.
What is the InChIKey of N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is SNPQUVKYESIEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10-17-14-7-6-11(8-22(14)20-10)18-15(23)9-21-13-5-3-2-4-12(13)19-16(21)24/h2-5,11H,6-9H2,1H3,(H,18,23)(H,19,24).
What are the key properties of N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 326.36 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 154801893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).