2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide

C18H24N6O2 — CID 120643052

IUPAC2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C18H24N6O2/c1-24-18(21-16(23-24)12-5-8-19-9-6-12)22-17(25)13-7-10-20-15(11-13)26-14-3-2-4-14/h7,10-12,14,19H,2-6,8-9H2,1H3,(H,21,22,23,25)
InChIKeySODVPEZEFQGXPY-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.86
Rot. Bonds5

About 2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide

2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide (PubChem CID 120643052) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide
PubChem CID120643052
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C18H24N6O2/c1-24-18(21-16(23-24)12-5-8-19-9-6-12)22-17(25)13-7-10-20-15(11-13)26-14-3-2-4-14/h7,10-12,14,19H,2-6,8-9H2,1H3,(H,21,22,23,25)
InChIKeySODVPEZEFQGXPY-UHFFFAOYSA-N
XLogP1.86
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide (CID 120643052) is 2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide is Cn1nc(C2CCNCC2)nc1NC(=O)c1ccnc(OC2CCC2)c1.
What is the InChIKey of 2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide?
The InChIKey is SODVPEZEFQGXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-24-18(21-16(23-24)12-5-8-19-9-6-12)22-17(25)13-7-10-20-15(11-13)26-14-3-2-4-14/h7,10-12,14,19H,2-6,8-9H2,1H3,(H,21,22,23,25).
What are the key properties of 2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide?
2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 120643052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).