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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Related Compounds

(R)-2-(((S)-2-(4-Cyanophenyl)propyl)amino)-N-(5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl)-2-phenylacetamide
CID 146014965
(2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
CID 146014966
8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753211
4-Pyrimidinecarboxamide,2-amino-6-(3-cyanophenyl)-n-(2-pyridinylmethyl)-
CID 11427490
4-Pyrimidinecarboxamide,2-amino-6-(3-cyanophenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520969
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methyl-6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10647621
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10718220
(4-((6-(1H-pyrazol-3-ylamino)pyridin-2-yl)methyl)piperazin-1-yl)(2-fluoro-3-(trifluoromethyl)phenyl)methanone
CID 11705035
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
2-(((3R,6R)-1-(2-(2H-1,2,3-triazol-2-yl)benzoyl)-6-methylpiperidin-3-yl)amino)isonicotinonitrile
CID 76072813
N-[2-(Methylamino)-2-Oxidanylidene-Ethyl]-2-(4-Pyrazol-1-Ylphenyl)-N-(1-Pyridin-2-Ylpiperidin-4-Yl)ethanamide
CID 122391195
8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
CID 137175122

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).