1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide

C17H20N6O — CID 118450678

IUPAC1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2cnccc2-n2cc(C#N)cn2)CC1
InChIInChI=1S/C17H20N6O/c1-21(2)17(24)14-4-7-22(8-5-14)16-11-19-6-3-15(16)23-12-13(9-18)10-20-23/h3,6,10-12,14H,4-5,7-8H2,1-2H3
InChIKeySOZYEMACOOSAFJ-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.44
Rot. Bonds3

About 1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide

1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 118450678) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID118450678
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2cnccc2-n2cc(C#N)cn2)CC1
InChIInChI=1S/C17H20N6O/c1-21(2)17(24)14-4-7-22(8-5-14)16-11-19-6-3-15(16)23-12-13(9-18)10-20-23/h3,6,10-12,14H,4-5,7-8H2,1-2H3
InChIKeySOZYEMACOOSAFJ-UHFFFAOYSA-N
XLogP1.44
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-cyano-3-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 172890931
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
N,N-dimethyl-1-(4-pyridin-2-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450392
N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 129066111
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 118450442
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 118450749
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 118450454
methyl 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxylate
CID 114287746
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone
CID 130222611
1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 103847087
1-[1-(4-indazol-2-yl-3-pyridinyl)piperidine-4-carbonyl]pyrrolidine-2-carbonitrile
CID 130222617
1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 22031560

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide (CID 118450678) is 1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2cnccc2-n2cc(C#N)cn2)CC1.
What is the InChIKey of 1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is SOZYEMACOOSAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-21(2)17(24)14-4-7-22(8-5-14)16-11-19-6-3-15(16)23-12-13(9-18)10-20-23/h3,6,10-12,14H,4-5,7-8H2,1-2H3.
What are the key properties of 1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 118450678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).