1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide

C22H20N6O2 — CID 72898522

IUPAC1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
SMILESN#Cc1ccc(C(=O)N2CCCCC2C(=O)Nc2ccc(-n3cccn3)cc2)cn1
InChIInChI=1S/C22H20N6O2/c23-14-18-6-5-16(15-24-18)22(30)27-12-2-1-4-20(27)21(29)26-17-7-9-19(10-8-17)28-13-3-11-25-28/h3,5-11,13,15,20H,1-2,4,12H2,(H,26,29)
InChIKeyKNGIWQNCOKWAIW-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.77
Rot. Bonds4

About 1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide

1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide (PubChem CID 72898522) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
PubChem CID72898522
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
SMILESN#Cc1ccc(C(=O)N2CCCCC2C(=O)Nc2ccc(-n3cccn3)cc2)cn1
InChIInChI=1S/C22H20N6O2/c23-14-18-6-5-16(15-24-18)22(30)27-12-2-1-4-20(27)21(29)26-17-7-9-19(10-8-17)28-13-3-11-25-28/h3,5-11,13,15,20H,1-2,4,12H2,(H,26,29)
InChIKeyKNGIWQNCOKWAIW-UHFFFAOYSA-N
XLogP2.77
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78920096
1-(cyclohexanecarbonyl)-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 55762135
1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide
CID 56826411
1-(3-methylsulfanylpropyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45198770
[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 43421347
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
CID 124701383
1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 126769711
N-(4-pyrazol-1-ylphenyl)-1-(quinolin-8-ylmethyl)piperidine-2-carboxamide
CID 24819180
[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 119467259
5-pyrazol-1-ylpyridine-2-carbonitrile
CID 115487796
1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45245025
N-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide
CID 45228050

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide (CID 72898522) is 1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide is N#Cc1ccc(C(=O)N2CCCCC2C(=O)Nc2ccc(-n3cccn3)cc2)cn1.
What is the InChIKey of 1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
The InChIKey is KNGIWQNCOKWAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c23-14-18-6-5-16(15-24-18)22(30)27-12-2-1-4-20(27)21(29)26-17-7-9-19(10-8-17)28-13-3-11-25-28/h3,5-11,13,15,20H,1-2,4,12H2,(H,26,29).
What are the key properties of 1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyanopyridine-3-carbonyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 72898522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).