4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide

C16H18N8O — CID 120938669

IUPAC4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C16H18N8O/c25-15(16(4-7-17-8-5-16)24-9-1-6-20-24)22-13-2-3-14(19-10-13)23-12-18-11-21-23/h1-3,6,9-12,17H,4-5,7-8H2,(H,22,25)
InChIKeyOQQIYAUZLWTBAL-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.58
Rot. Bonds4

About 4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide

4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 120938669) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
PubChem CID120938669
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C16H18N8O/c25-15(16(4-7-17-8-5-16)24-9-1-6-20-24)22-13-2-3-14(19-10-13)23-12-18-11-21-23/h1-3,6,9-12,17H,4-5,7-8H2,(H,22,25)
InChIKeyOQQIYAUZLWTBAL-UHFFFAOYSA-N
XLogP0.58
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide (CID 120938669) is 4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide is O=C(Nc1ccc(-n2cncn2)nc1)C1(n2cccn2)CCNCC1.
What is the InChIKey of 4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is OQQIYAUZLWTBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c25-15(16(4-7-17-8-5-16)24-9-1-6-20-24)22-13-2-3-14(19-10-13)23-12-18-11-21-23/h1-3,6,9-12,17H,4-5,7-8H2,(H,22,25).
What are the key properties of 4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 120938669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).