2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C17H24N6O — CID 118772022

IUPAC2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1nc(C2CCN(C(=O)CN(C)Cc3ccccn3)CC2)n[nH]1
InChIInChI=1S/C17H24N6O/c1-13-19-17(21-20-13)14-6-9-23(10-7-14)16(24)12-22(2)11-15-5-3-4-8-18-15/h3-5,8,14H,6-7,9-12H2,1-2H3,(H,19,20,21)
InChIKeyJENMSGKWHKZFRA-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.35
Rot. Bonds5

About 2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 118772022) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID118772022
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1nc(C2CCN(C(=O)CN(C)Cc3ccccn3)CC2)n[nH]1
InChIInChI=1S/C17H24N6O/c1-13-19-17(21-20-13)14-6-9-23(10-7-14)16(24)12-22(2)11-15-5-3-4-8-18-15/h3-5,8,14H,6-7,9-12H2,1-2H3,(H,19,20,21)
InChIKeyJENMSGKWHKZFRA-UHFFFAOYSA-N
XLogP1.35
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl(pyridin-2-ylmethyl)amino]-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
CID 175652345
2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92637740
1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 125162266
3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 70723407
2-(4-methylsulfonylphenyl)-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 118772429
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596
2-[(4-fluorophenyl)methyl-methylamino]-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethanone
CID 90652506
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 124994173
1-cyclohexyl-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 104750407
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
(4-methyl-2-phenylpyrimidin-5-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 119070432

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 118772022) is 2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is Cc1nc(C2CCN(C(=O)CN(C)Cc3ccccn3)CC2)n[nH]1.
What is the InChIKey of 2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is JENMSGKWHKZFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-19-17(21-20-13)14-6-9-23(10-7-14)16(24)12-22(2)11-15-5-3-4-8-18-15/h3-5,8,14H,6-7,9-12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 328.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 118772022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).