4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide

C20H22N6O2 — CID 72876027

IUPAC4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(-n2cncn2)c1)N1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C20H22N6O2/c27-19(18-6-1-2-9-22-18)15-7-10-25(11-8-15)20(28)24-16-4-3-5-17(12-16)26-14-21-13-23-26/h1-6,9,12-15,19,27H,7-8,10-11H2,(H,24,28)
InChIKeyYMVSJTFUMYRDOA-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.64
Rot. Bonds4

About 4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide

4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide (PubChem CID 72876027) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide
PubChem CID72876027
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(-n2cncn2)c1)N1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C20H22N6O2/c27-19(18-6-1-2-9-22-18)15-7-10-25(11-8-15)20(28)24-16-4-3-5-17(12-16)26-14-21-13-23-26/h1-6,9,12-15,19,27H,7-8,10-11H2,(H,24,28)
InChIKeyYMVSJTFUMYRDOA-UHFFFAOYSA-N
XLogP2.64
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide (CID 72876027) is 4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide is O=C(Nc1cccc(-n2cncn2)c1)N1CCC(C(O)c2ccccn2)CC1.
What is the InChIKey of 4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is YMVSJTFUMYRDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-19(18-6-1-2-9-22-18)15-7-10-25(11-8-15)20(28)24-16-4-3-5-17(12-16)26-14-21-13-23-26/h1-6,9,12-15,19,27H,7-8,10-11H2,(H,24,28).
What are the key properties of 4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide?
4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(pyridin-2-yl)methyl]-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 72876027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).