1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea

C19H22N6O — CID 72866611

IUPAC1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea
SMILESCCc1cc(C#N)ccc1NC(=O)NC1CCCN(c2cnccn2)C1
InChIInChI=1S/C19H22N6O/c1-2-15-10-14(11-20)5-6-17(15)24-19(26)23-16-4-3-9-25(13-16)18-12-21-7-8-22-18/h5-8,10,12,16H,2-4,9,13H2,1H3,(H2,23,24,26)
InChIKeyIYVSJECWFMWFGZ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.70
Rot. Bonds4

About 1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea

1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea (PubChem CID 72866611) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea
PubChem CID72866611
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea
SMILESCCc1cc(C#N)ccc1NC(=O)NC1CCCN(c2cnccn2)C1
InChIInChI=1S/C19H22N6O/c1-2-15-10-14(11-20)5-6-17(15)24-19(26)23-16-4-3-9-25(13-16)18-12-21-7-8-22-18/h5-8,10,12,16H,2-4,9,13H2,1H3,(H2,23,24,26)
InChIKeyIYVSJECWFMWFGZ-UHFFFAOYSA-N
XLogP2.70
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3802
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CID 6464582
(2R,5S)-N-(6-aminopyridin-3-yl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine-1-carboxamide
CID 11661683
N-(2-Cyanophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 716676
N1-phenyl-4-(3-cyanopyrazin-2-yl)piperazine-1-carboxamide
CID 2822687
N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222609
1-[4-(Butan-2-yl)phenyl]-3-pyrazin-2-ylurea
CID 6468486
1-Pyrazin-2-yl-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 16014783
1-(4-Butylphenyl)-3-pyrazin-2-ylurea
CID 17263249
Pantothenate kinase-IN-1
CID 4644254
4-(5-cyano-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 4996363
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CID 10023408

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea?
The IUPAC name of 1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea (CID 72866611) is 1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea.
What is the SMILES notation for 1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea?
The canonical SMILES for 1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea is CCc1cc(C#N)ccc1NC(=O)NC1CCCN(c2cnccn2)C1.
What is the InChIKey of 1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea?
The InChIKey is IYVSJECWFMWFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-15-10-14(11-20)5-6-17(15)24-19(26)23-16-4-3-9-25(13-16)18-12-21-7-8-22-18/h5-8,10,12,16H,2-4,9,13H2,1H3,(H2,23,24,26).
What are the key properties of 1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea?
1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea has a molecular weight of 350.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-ethylphenyl)-3-(1-pyrazin-2-ylpiperidin-3-yl)urea is sourced from PubChem (CID 72866611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).