1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea

C13H16N4O — CID 103352667

IUPAC1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)NCC2(N)CCC2)c1
InChIInChI=1S/C13H16N4O/c14-8-10-3-1-4-11(7-10)17-12(18)16-9-13(15)5-2-6-13/h1,3-4,7H,2,5-6,9,15H2,(H2,16,17,18)
InChIKeyQYBYDGFBIIQMFY-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.56
Rot. Bonds3

About 1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea

1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea (PubChem CID 103352667) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea.

Molecular Properties

Compound Name1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea
PubChem CID103352667
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)NCC2(N)CCC2)c1
InChIInChI=1S/C13H16N4O/c14-8-10-3-1-4-11(7-10)17-12(18)16-9-13(15)5-2-6-13/h1,3-4,7H,2,5-6,9,15H2,(H2,16,17,18)
InChIKeyQYBYDGFBIIQMFY-UHFFFAOYSA-N
XLogP1.56
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea 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

2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide
CID 79851880
1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea
CID 61300035
1-(3-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 79451080
1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide
CID 81179740
1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
CID 114750430
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
1-(2-chloroethyl)-3-(3-cyanophenyl)urea
CID 11736224
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea
CID 113214561
1-(3-cyanophenyl)-3-[1-(trifluoromethyl)cyclobutyl]urea
CID 127265839
1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea
CID 43428235
1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214747

Frequently Asked Questions

What is the IUPAC name of 1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea?
The IUPAC name of 1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea (CID 103352667) is 1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea.
What is the SMILES notation for 1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea?
The canonical SMILES for 1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea is N#Cc1cccc(NC(=O)NCC2(N)CCC2)c1.
What is the InChIKey of 1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea?
The InChIKey is QYBYDGFBIIQMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-8-10-3-1-4-11(7-10)17-12(18)16-9-13(15)5-2-6-13/h1,3-4,7H,2,5-6,9,15H2,(H2,16,17,18).
What are the key properties of 1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea?
1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea has a molecular weight of 244.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea is sourced from PubChem (CID 103352667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).