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

C15H19N5O — CID 86772339

IUPACN-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-pyridin-2-ylpropanamide
SMILESCc1nnc2n1CC(NC(=O)CCc1ccccn1)CC2
InChIInChI=1S/C15H19N5O/c1-11-18-19-14-7-5-13(10-20(11)14)17-15(21)8-6-12-4-2-3-9-16-12/h2-4,9,13H,5-8,10H2,1H3,(H,17,21)
InChIKeyKKZHHWQUAVIBGO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.05
Rot. Bonds4

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

N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-pyridin-2-ylpropanamide (PubChem CID 86772339) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-pyridin-2-ylpropanamide
PubChem CID86772339
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-pyridin-2-ylpropanamide
SMILESCc1nnc2n1CC(NC(=O)CCc1ccccn1)CC2
InChIInChI=1S/C15H19N5O/c1-11-18-19-14-7-5-13(10-20(11)14)17-15(21)8-6-12-4-2-3-9-16-12/h2-4,9,13H,5-8,10H2,1H3,(H,17,21)
InChIKeyKKZHHWQUAVIBGO-UHFFFAOYSA-N
XLogP1.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide
CID 86772258
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
4-pyridin-2-yl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butanamide
CID 95762622
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45214329
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
3-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)propanamide
CID 112533136
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-pyridin-2-ylpropanamide
CID 71977381
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 60600060
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-phenylimidazole-4-carboxamide
CID 86772269
N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 95154221

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-pyridin-2-ylpropanamide (CID 86772339) is N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-pyridin-2-ylpropanamide is Cc1nnc2n1CC(NC(=O)CCc1ccccn1)CC2.
What is the InChIKey of N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-pyridin-2-ylpropanamide?
The InChIKey is KKZHHWQUAVIBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-18-19-14-7-5-13(10-20(11)14)17-15(21)8-6-12-4-2-3-9-16-12/h2-4,9,13H,5-8,10H2,1H3,(H,17,21).
What are the key properties of N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-pyridin-2-ylpropanamide?
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-pyridin-2-ylpropanamide has a molecular weight of 285.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 86772339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).