N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C17H16N4O — CID 167847221

IUPACN-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(C(=O)c1ccc2nncn2c1)C1CC1c1ccccc1
InChIInChI=1S/C17H16N4O/c1-20(15-9-14(15)12-5-3-2-4-6-12)17(22)13-7-8-16-19-18-11-21(16)10-13/h2-8,10-11,14-15H,9H2,1H3
InChIKeyOHMRVXOHWMGZPE-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.36
Rot. Bonds3

About N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 167847221) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID167847221
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(C(=O)c1ccc2nncn2c1)C1CC1c1ccccc1
InChIInChI=1S/C17H16N4O/c1-20(15-9-14(15)12-5-3-2-4-6-12)17(22)13-7-8-16-19-18-11-21(16)10-13/h2-8,10-11,14-15H,9H2,1H3
InChIKeyOHMRVXOHWMGZPE-UHFFFAOYSA-N
XLogP2.36
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-4-(triazol-1-yl)benzamide
CID 97247281
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride
CID 120742282
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 154799227
N-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 100749011
3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 97248877
N-methyl-N-(2-phenylcyclopropyl)but-2-ynamide
CID 146083708
[(1R,3S)-2,2-dimethyl-3-phenylmethoxycyclobutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 97261726
N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide
CID 154193937
N-(cyclopropylmethyl)-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 71974367
(4-amino-3,3-dimethylpiperidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 120816284
[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 154867298
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97083335

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 167847221) is N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CN(C(=O)c1ccc2nncn2c1)C1CC1c1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is OHMRVXOHWMGZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-20(15-9-14(15)12-5-3-2-4-6-12)17(22)13-7-8-16-19-18-11-21(16)10-13/h2-8,10-11,14-15H,9H2,1H3.
What are the key properties of N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 167847221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).