1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide

C15H21N7O — CID 71703420

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3n[nH]c(C)n3)CC2)n1
InChIInChI=1S/C15H21N7O/c1-9-8-10(2)17-15(16-9)22-6-4-12(5-7-22)13(23)19-14-18-11(3)20-21-14/h8,12H,4-7H2,1-3H3,(H2,18,19,20,21,23)
InChIKeyJLFFUNLJWGSNIA-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.38
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (PubChem CID 71703420) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
PubChem CID71703420
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3n[nH]c(C)n3)CC2)n1
InChIInChI=1S/C15H21N7O/c1-9-8-10(2)17-15(16-9)22-6-4-12(5-7-22)13(23)19-14-18-11(3)20-21-14/h8,12H,4-7H2,1-3H3,(H2,18,19,20,21,23)
InChIKeyJLFFUNLJWGSNIA-UHFFFAOYSA-N
XLogP1.38
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (CID 71703420) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)Nc3n[nH]c(C)n3)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The InChIKey is JLFFUNLJWGSNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-9-8-10(2)17-15(16-9)22-6-4-12(5-7-22)13(23)19-14-18-11(3)20-21-14/h8,12H,4-7H2,1-3H3,(H2,18,19,20,21,23).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71703420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).