3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide

C13H14N4O2 — CID 154843025

IUPAC3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide
SMILESN#Cc1cccc(NC(=O)NC2CC(C(N)=O)C2)c1
InChIInChI=1S/C13H14N4O2/c14-7-8-2-1-3-10(4-8)16-13(19)17-11-5-9(6-11)12(15)18/h1-4,9,11H,5-6H2,(H2,15,18)(H2,16,17,19)
InChIKeyPQWNWBCKZJHYBC-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.94
Rot. Bonds3

About 3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide

3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide (PubChem CID 154843025) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide
PubChem CID154843025
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide
SMILESN#Cc1cccc(NC(=O)NC2CC(C(N)=O)C2)c1
InChIInChI=1S/C13H14N4O2/c14-7-8-2-1-3-10(4-8)16-13(19)17-11-5-9(6-11)12(15)18/h1-4,9,11H,5-6H2,(H2,15,18)(H2,16,17,19)
InChIKeyPQWNWBCKZJHYBC-UHFFFAOYSA-N
XLogP0.94
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 94414975
1-[4-(3-cyanoanilino)phenyl]-3-cyclohexylurea
CID 112989973
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43176765
3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
CID 63042853
1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea
CID 106737757
(2R)-2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 94779767
2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 47075796
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
1-(3-cyanophenyl)-3-(3-oxobutan-2-yl)urea
CID 64993876

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide?
The IUPAC name of 3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide (CID 154843025) is 3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide?
The canonical SMILES for 3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide is N#Cc1cccc(NC(=O)NC2CC(C(N)=O)C2)c1.
What is the InChIKey of 3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide?
The InChIKey is PQWNWBCKZJHYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-7-8-2-1-3-10(4-8)16-13(19)17-11-5-9(6-11)12(15)18/h1-4,9,11H,5-6H2,(H2,15,18)(H2,16,17,19).
What are the key properties of 3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide?
3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanophenyl)carbamoylamino]cyclobutane-1-carboxamide is sourced from PubChem (CID 154843025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).