1-(3-cyanophenyl)-3-pyridin-4-ylurea

C13H10N4O — CID 110706525

IUPAC1-(3-cyanophenyl)-3-pyridin-4-ylurea
SMILESN#Cc1cccc(NC(=O)Nc2ccncc2)c1
InChIInChI=1S/C13H10N4O/c14-9-10-2-1-3-12(8-10)17-13(18)16-11-4-6-15-7-5-11/h1-8H,(H2,15,16,17,18)
InChIKeySFHFFNBAAYVYHT-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.60
Rot. Bonds2

About 1-(3-cyanophenyl)-3-pyridin-4-ylurea

1-(3-cyanophenyl)-3-pyridin-4-ylurea (PubChem CID 110706525) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-pyridin-4-ylurea
PubChem CID110706525
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name1-(3-cyanophenyl)-3-pyridin-4-ylurea
SMILESN#Cc1cccc(NC(=O)Nc2ccncc2)c1
InChIInChI=1S/C13H10N4O/c14-9-10-2-1-3-12(8-10)17-13(18)16-11-4-6-15-7-5-11/h1-8H,(H2,15,16,17,18)
InChIKeySFHFFNBAAYVYHT-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-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
1-(3-cyanophenyl)-3-(4-formylphenyl)urea
CID 106912787
1-(3-cyanophenyl)-3-(4-methylidenearsanylphenyl)urea
CID 161267287
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959
1-(3-cyanophenyl)-3-[3-(methylaminomethyl)phenyl]urea
CID 43602485
1-(3-cyanophenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64780329
1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea
CID 64789061
1-(2-amino-6-chlorophenyl)-3-(3-cyanophenyl)urea
CID 62085872
S-methyl N-(3-cyanophenyl)carbamothioate
CID 134122988
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(3-cyanophenyl)-3-pyridin-4-ylurea (CID 110706525) is 1-(3-cyanophenyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(3-cyanophenyl)-3-pyridin-4-ylurea is N#Cc1cccc(NC(=O)Nc2ccncc2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-pyridin-4-ylurea?
The InChIKey is SFHFFNBAAYVYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-9-10-2-1-3-12(8-10)17-13(18)16-11-4-6-15-7-5-11/h1-8H,(H2,15,16,17,18).
What are the key properties of 1-(3-cyanophenyl)-3-pyridin-4-ylurea?
1-(3-cyanophenyl)-3-pyridin-4-ylurea 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-cyanophenyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 110706525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).