1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide

C15H20N6O — CID 75494567

IUPAC1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCc3cn[nH]n3)CC2)nc1
InChIInChI=1S/C15H20N6O/c1-11-2-3-14(16-8-11)21-6-4-12(5-7-21)15(22)17-9-13-10-18-20-19-13/h2-3,8,10,12H,4-7,9H2,1H3,(H,17,22)(H,18,19,20)
InChIKeySFMIAHDXJNALTP-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.04
Rot. Bonds4

About 1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide

1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 75494567) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide
PubChem CID75494567
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCc3cn[nH]n3)CC2)nc1
InChIInChI=1S/C15H20N6O/c1-11-2-3-14(16-8-11)21-6-4-12(5-7-21)15(22)17-9-13-10-18-20-19-13/h2-3,8,10,12H,4-7,9H2,1H3,(H,17,22)(H,18,19,20)
InChIKeySFMIAHDXJNALTP-UHFFFAOYSA-N
XLogP1.04
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide (CID 75494567) is 1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide is Cc1ccc(N2CCC(C(=O)NCc3cn[nH]n3)CC2)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SFMIAHDXJNALTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11-2-3-14(16-8-11)21-6-4-12(5-7-21)15(22)17-9-13-10-18-20-19-13/h2-3,8,10,12H,4-7,9H2,1H3,(H,17,22)(H,18,19,20).
What are the key properties of 1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide?
1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 75494567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).