1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide

C18H27N7O — CID 56722083

IUPAC1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCCc1cc(N2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)ncn1
InChIInChI=1S/C18H27N7O/c1-4-14-9-17(21-12-20-14)24-7-5-15(6-8-24)25-11-16(22-23-25)18(26)19-10-13(2)3/h9,11-13,15H,4-8,10H2,1-3H3,(H,19,26)
InChIKeyQVPSLSRGIBEKLF-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.86
Rot. Bonds6

About 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide

1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide (PubChem CID 56722083) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
PubChem CID56722083
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCCc1cc(N2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)ncn1
InChIInChI=1S/C18H27N7O/c1-4-14-9-17(21-12-20-14)24-7-5-15(6-8-24)25-11-16(22-23-25)18(26)19-10-13(2)3/h9,11-13,15H,4-8,10H2,1-3H3,(H,19,26)
InChIKeyQVPSLSRGIBEKLF-UHFFFAOYSA-N
XLogP1.86
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
The IUPAC name of 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide (CID 56722083) is 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
The canonical SMILES for 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide is CCc1cc(N2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)ncn1.
What is the InChIKey of 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
The InChIKey is QVPSLSRGIBEKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-4-14-9-17(21-12-20-14)24-7-5-15(6-8-24)25-11-16(22-23-25)18(26)19-10-13(2)3/h9,11-13,15H,4-8,10H2,1-3H3,(H,19,26).
What are the key properties of 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 56722083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).