1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

C23H24N6O — CID 17492732

IUPAC1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NCc3ccc(Cn4cccn4)cc3)CC2)nc1
InChIInChI=1S/C23H24N6O/c24-14-20-6-7-22(25-16-20)28-12-8-21(9-13-28)23(30)26-15-18-2-4-19(5-3-18)17-29-11-1-10-27-29/h1-7,10-11,16,21H,8-9,12-13,15,17H2,(H,26,30)
InChIKeyZNCSGRAYWCPSHR-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.73
Rot. Bonds6

About 1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 17492732) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID17492732
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NCc3ccc(Cn4cccn4)cc3)CC2)nc1
InChIInChI=1S/C23H24N6O/c24-14-20-6-7-22(25-16-20)28-12-8-21(9-13-28)23(30)26-15-18-2-4-19(5-3-18)17-29-11-1-10-27-29/h1-7,10-11,16,21H,8-9,12-13,15,17H2,(H,26,30)
InChIKeyZNCSGRAYWCPSHR-UHFFFAOYSA-N
XLogP2.73
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide (CID 17492732) is 1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)NCc3ccc(Cn4cccn4)cc3)CC2)nc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is ZNCSGRAYWCPSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c24-14-20-6-7-22(25-16-20)28-12-8-21(9-13-28)23(30)26-15-18-2-4-19(5-3-18)17-29-11-1-10-27-29/h1-7,10-11,16,21H,8-9,12-13,15,17H2,(H,26,30).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 17492732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).