1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea

C16H17N5O2 — CID 75398088

IUPAC1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea
SMILESCC(C)Oc1ccc(C#N)cc1NC(=O)NNc1ccccn1
InChIInChI=1S/C16H17N5O2/c1-11(2)23-14-7-6-12(10-17)9-13(14)19-16(22)21-20-15-5-3-4-8-18-15/h3-9,11H,1-2H3,(H,18,20)(H2,19,21,22)
InChIKeyWSPFHGZBGYGBNP-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.89
Rot. Bonds5

About 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea

1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea (PubChem CID 75398088) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea.

Molecular Properties

Compound Name1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea
PubChem CID75398088
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea
SMILESCC(C)Oc1ccc(C#N)cc1NC(=O)NNc1ccccn1
InChIInChI=1S/C16H17N5O2/c1-11(2)23-14-7-6-12(10-17)9-13(14)19-16(22)21-20-15-5-3-4-8-18-15/h3-9,11H,1-2H3,(H,18,20)(H2,19,21,22)
InChIKeyWSPFHGZBGYGBNP-UHFFFAOYSA-N
XLogP2.89
TPSA99.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 60569804
1-(4-cyanophenyl)-3-pyridin-2-ylurea
CID 108894633
1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 60569654
N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86834751
(2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 95138449
5-(5-cyano-2-propan-2-yloxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 47704156
N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109359157
N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955872
3-cyano-N-(2-propan-2-yloxyphenyl)benzamide
CID 38999846
1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057684
1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea
CID 110492341
N-(4-cyanophenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112850706

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea?
The IUPAC name of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea (CID 75398088) is 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea.
What is the SMILES notation for 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea?
The canonical SMILES for 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea is CC(C)Oc1ccc(C#N)cc1NC(=O)NNc1ccccn1.
What is the InChIKey of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea?
The InChIKey is WSPFHGZBGYGBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-11(2)23-14-7-6-12(10-17)9-13(14)19-16(22)21-20-15-5-3-4-8-18-15/h3-9,11H,1-2H3,(H,18,20)(H2,19,21,22).
What are the key properties of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea?
1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea has a molecular weight of 311.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea is sourced from PubChem (CID 75398088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).