3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile

C23H24N6O — CID 10525031

IUPAC3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)c1
InChIInChI=1S/C23H24N6O/c24-15-19-4-1-5-20(14-19)23(30)28-12-8-18(9-13-28)16-25-17-21-6-2-7-22(27-21)29-11-3-10-26-29/h1-7,10-11,14,18,25H,8-9,12-13,16-17H2
InChIKeyPORGIUUYMSNGFF-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.78
Rot. Bonds6

About 3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile

3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile (PubChem CID 10525031) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile
PubChem CID10525031
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)c1
InChIInChI=1S/C23H24N6O/c24-15-19-4-1-5-20(14-19)23(30)28-12-8-18(9-13-28)16-25-17-21-6-2-7-22(27-21)29-11-3-10-26-29/h1-7,10-11,14,18,25H,8-9,12-13,16-17H2
InChIKeyPORGIUUYMSNGFF-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile?
The IUPAC name of 3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile (CID 10525031) is 3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile?
The canonical SMILES for 3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile is N#Cc1cccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)c1.
What is the InChIKey of 3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile?
The InChIKey is PORGIUUYMSNGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c24-15-19-4-1-5-20(14-19)23(30)28-12-8-18(9-13-28)16-25-17-21-6-2-7-22(27-21)29-11-3-10-26-29/h1-7,10-11,14,18,25H,8-9,12-13,16-17H2.
What are the key properties of 3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile?
3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile has a molecular weight of 400.49 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 10525031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).