3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide

C15H16N4O — CID 107790584

IUPAC3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCC(N)C2)cc1C#N
InChIInChI=1S/C15H16N4O/c16-8-11-4-5-14(7-12(11)9-17)19-15(20)10-2-1-3-13(18)6-10/h4-5,7,10,13H,1-3,6,18H2,(H,19,20)
InChIKeyPDXIESBKNZSSID-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds2

About 3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide

3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide (PubChem CID 107790584) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide
PubChem CID107790584
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCC(N)C2)cc1C#N
InChIInChI=1S/C15H16N4O/c16-8-11-4-5-14(7-12(11)9-17)19-15(20)10-2-1-3-13(18)6-10/h4-5,7,10,13H,1-3,6,18H2,(H,19,20)
InChIKeyPDXIESBKNZSSID-UHFFFAOYSA-N
XLogP1.89
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide
CID 63044726
3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
CID 63042853
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 63043411
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
CID 63042324
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119811117
3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide
CID 63044296
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119702395
N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
CID 119709587
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide (CID 107790584) is 3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide is N#Cc1ccc(NC(=O)C2CCCC(N)C2)cc1C#N.
What is the InChIKey of 3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide?
The InChIKey is PDXIESBKNZSSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-8-11-4-5-14(7-12(11)9-17)19-15(20)10-2-1-3-13(18)6-10/h4-5,7,10,13H,1-3,6,18H2,(H,19,20).
What are the key properties of 3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide?
3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107790584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).