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

C14H17N3O — CID 63042853

IUPAC3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C14H17N3O/c15-9-10-3-1-6-13(7-10)17-14(18)11-4-2-5-12(16)8-11/h1,3,6-7,11-12H,2,4-5,8,16H2,(H,17,18)
InChIKeyPBSAJAUTAQKBRJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.01
Rot. Bonds2

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

3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide (PubChem CID 63042853) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
PubChem CID63042853
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C14H17N3O/c15-9-10-3-1-6-13(7-10)17-14(18)11-4-2-5-12(16)8-11/h1,3,6-7,11-12H,2,4-5,8,16H2,(H,17,18)
InChIKeyPBSAJAUTAQKBRJ-UHFFFAOYSA-N
XLogP2.01
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide
CID 107790584
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CID 63044296
3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide
CID 63044726
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CID 110864808
3-amino-N-(3-phenoxyphenyl)cyclohexane-1-carboxamide
CID 119673239
N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
CID 119709587
N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide
CID 112989923
3-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 63043411
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119790385
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119731808

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide (CID 63042853) is 3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide is N#Cc1cccc(NC(=O)C2CCCC(N)C2)c1.
What is the InChIKey of 3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide?
The InChIKey is PBSAJAUTAQKBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-9-10-3-1-6-13(7-10)17-14(18)11-4-2-5-12(16)8-11/h1,3,6-7,11-12H,2,4-5,8,16H2,(H,17,18).
What are the key properties of 3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide?
3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63042853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).