1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide

C12H13N3O — CID 81179740

IUPAC1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide
SMILESN#Cc1cccc(NC(=O)C2(N)CCC2)c1
InChIInChI=1S/C12H13N3O/c13-8-9-3-1-4-10(7-9)15-11(16)12(14)5-2-6-12/h1,3-4,7H,2,5-6,14H2,(H,15,16)
InChIKeySBGUKTTYJLYIRZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.38
Rot. Bonds2

About 1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide

1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide (PubChem CID 81179740) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide
PubChem CID81179740
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide
SMILESN#Cc1cccc(NC(=O)C2(N)CCC2)c1
InChIInChI=1S/C12H13N3O/c13-8-9-3-1-4-10(7-9)15-11(16)12(14)5-2-6-12/h1,3-4,7H,2,5-6,14H2,(H,15,16)
InChIKeySBGUKTTYJLYIRZ-UHFFFAOYSA-N
XLogP1.38
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79851880
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N-(3-cyanophenyl)adamantane-1-carboxamide
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1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
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1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
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1-N'-(3-cyanophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
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1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848
1-(3-cyanophenyl)-3-[1-(trifluoromethyl)cyclobutyl]urea
CID 127265839
1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81179376
1-(aminomethyl)-N-(3-cyanophenyl)-4-methylcyclohexane-1-carboxamide
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CID 60854804

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide (CID 81179740) is 1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide is N#Cc1cccc(NC(=O)C2(N)CCC2)c1.
What is the InChIKey of 1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide?
The InChIKey is SBGUKTTYJLYIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-8-9-3-1-4-10(7-9)15-11(16)12(14)5-2-6-12/h1,3-4,7H,2,5-6,14H2,(H,15,16).
What are the key properties of 1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide?
1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81179740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).