1-(3-cyano-2-pyridinyl)-3-phenylurea

C13H10N4O — CID 110472230

IUPAC1-(3-cyano-2-pyridinyl)-3-phenylurea
SMILESN#Cc1cccnc1NC(=O)Nc1ccccc1
InChIInChI=1S/C13H10N4O/c14-9-10-5-4-8-15-12(10)17-13(18)16-11-6-2-1-3-7-11/h1-8H,(H2,15,16,17,18)
InChIKeyPNNFWHAMXSBGPG-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.60
Rot. Bonds2

About 1-(3-cyano-2-pyridinyl)-3-phenylurea

1-(3-cyano-2-pyridinyl)-3-phenylurea (PubChem CID 110472230) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(3-cyano-2-pyridinyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-cyano-2-pyridinyl)-3-phenylurea
PubChem CID110472230
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name1-(3-cyano-2-pyridinyl)-3-phenylurea
SMILESN#Cc1cccnc1NC(=O)Nc1ccccc1
InChIInChI=1S/C13H10N4O/c14-9-10-5-4-8-15-12(10)17-13(18)16-11-6-2-1-3-7-11/h1-8H,(H2,15,16,17,18)
InChIKeyPNNFWHAMXSBGPG-UHFFFAOYSA-N
XLogP2.60
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea
CID 110473501
2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide
CID 175502702
phenyl N-(3-cyano-2-pyridinyl)carbamate
CID 110472420
1-(3-nitro-2-pyridinyl)-3-phenylurea
CID 134095340
1-(3-cyano-2-pyridinyl)-3-cyclohexylurea
CID 110472699
2-amino-N-(3-cyano-2-pyridinyl)benzamide
CID 110474340
N-(3-cyano-2-pyridinyl)-2-(methylamino)acetamide
CID 110470457
N-(3-cyano-2-pyridinyl)-6-phenylhexanamide
CID 86616590
N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide
CID 35032477
N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide
CID 110470804
1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(3,3-diphenylpropyl)urea
CID 55770075
1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea
CID 2805877

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-2-pyridinyl)-3-phenylurea?
The IUPAC name of 1-(3-cyano-2-pyridinyl)-3-phenylurea (CID 110472230) is 1-(3-cyano-2-pyridinyl)-3-phenylurea.
What is the SMILES notation for 1-(3-cyano-2-pyridinyl)-3-phenylurea?
The canonical SMILES for 1-(3-cyano-2-pyridinyl)-3-phenylurea is N#Cc1cccnc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(3-cyano-2-pyridinyl)-3-phenylurea?
The InChIKey is PNNFWHAMXSBGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-9-10-5-4-8-15-12(10)17-13(18)16-11-6-2-1-3-7-11/h1-8H,(H2,15,16,17,18).
What are the key properties of 1-(3-cyano-2-pyridinyl)-3-phenylurea?
1-(3-cyano-2-pyridinyl)-3-phenylurea has a molecular weight of 238.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-2-pyridinyl)-3-phenylurea is sourced from PubChem (CID 110472230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).