1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea

C19H22N6O — CID 154704372

IUPAC1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea
SMILESN#Cc1cccc(N(CCN2CCNCC2)C(=O)Nc2cccnc2)c1
InChIInChI=1S/C19H22N6O/c20-14-16-3-1-5-18(13-16)25(12-11-24-9-7-21-8-10-24)19(26)23-17-4-2-6-22-15-17/h1-6,13,15,21H,7-12H2,(H,23,26)
InChIKeyATRIFJUGHUARMM-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.90
Rot. Bonds5

About 1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea

1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea (PubChem CID 154704372) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea
PubChem CID154704372
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea
SMILESN#Cc1cccc(N(CCN2CCNCC2)C(=O)Nc2cccnc2)c1
InChIInChI=1S/C19H22N6O/c20-14-16-3-1-5-18(13-16)25(12-11-24-9-7-21-8-10-24)19(26)23-17-4-2-6-22-15-17/h1-6,13,15,21H,7-12H2,(H,23,26)
InChIKeyATRIFJUGHUARMM-UHFFFAOYSA-N
XLogP1.90
TPSA84.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea
CID 154706334
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CID 156595313
1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea
CID 154726993
1-phenyl-1-propyl-3-pyridin-3-ylurea
CID 30845452
1-(3-aminophenyl)-3-(3-cyanophenyl)-1-ethylurea
CID 63229843
N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine
CID 115240359
N-(3-cyanophenyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62982489
3-[3-cyano-N-(2-pyrrolidin-1-ylethyl)anilino]propanoic acid
CID 82319736
N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide
CID 115178480
N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
CID 108526043
1-methyl-5-(piperazin-1-ylmethyl)-N-pyridin-3-ylpyrazole-4-carboxamide
CID 83580921
N-[1-[2-[4-(3-cyanophenyl)-N-[(3,5-dichlorophenyl)carbamoyl]anilino]ethyl]piperidin-4-yl]acetamide
CID 59037368

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea (CID 154704372) is 1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea is N#Cc1cccc(N(CCN2CCNCC2)C(=O)Nc2cccnc2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea?
The InChIKey is ATRIFJUGHUARMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c20-14-16-3-1-5-18(13-16)25(12-11-24-9-7-21-8-10-24)19(26)23-17-4-2-6-22-15-17/h1-6,13,15,21H,7-12H2,(H,23,26).
What are the key properties of 1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea?
1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea has a molecular weight of 350.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 154704372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).