1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea

C13H9ClN4O — CID 110473501

IUPAC1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea
SMILESN#Cc1cccnc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN4O/c14-10-3-5-11(6-4-10)17-13(19)18-12-9(8-15)2-1-7-16-12/h1-7H,(H2,16,17,18,19)
InChIKeyXCZPRJCBHZEJMC-UHFFFAOYSA-N
MW272.70 g/mol
LogP3.25
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea

1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea (PubChem CID 110473501) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea
PubChem CID110473501
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea
SMILESN#Cc1cccnc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN4O/c14-10-3-5-11(6-4-10)17-13(19)18-12-9(8-15)2-1-7-16-12/h1-7H,(H2,16,17,18,19)
InChIKeyXCZPRJCBHZEJMC-UHFFFAOYSA-N
XLogP3.25
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyano-2-pyridinyl)-3-phenylurea
CID 110472230
2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide
CID 175502702
1-(3-cyano-2-pyridinyl)-3-cyclohexylurea
CID 110472699
2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 28832788
N-(3-cyano-2-pyridinyl)-2-(methylamino)acetamide
CID 110470457
N-(3-cyano-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110471770
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide
CID 108501543
phenyl N-(3-cyano-2-pyridinyl)carbamate
CID 110472420
2-[2-(2,4-dichlorophenyl)ethylamino]pyridine-3-carbonitrile
CID 26472030
1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 103094731
2-amino-N-(3-cyano-2-pyridinyl)benzamide
CID 110474340

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea (CID 110473501) is 1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea is N#Cc1cccnc1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea?
The InChIKey is XCZPRJCBHZEJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-10-3-5-11(6-4-10)17-13(19)18-12-9(8-15)2-1-7-16-12/h1-7H,(H2,16,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea?
1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea has a molecular weight of 272.70 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea is sourced from PubChem (CID 110473501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).