N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide

C14H17N3O — CID 43548995

IUPACN-(4-amino-2-cyanophenyl)cyclohexanecarboxamide
SMILESN#Cc1cc(N)ccc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H17N3O/c15-9-11-8-12(16)6-7-13(11)17-14(18)10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18)
InChIKeyQGJHLFVAMFQMKE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.66
Rot. Bonds2

About N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide

N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide (PubChem CID 43548995) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)cyclohexanecarboxamide
PubChem CID43548995
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(4-amino-2-cyanophenyl)cyclohexanecarboxamide
SMILESN#Cc1cc(N)ccc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H17N3O/c15-9-11-8-12(16)6-7-13(11)17-14(18)10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18)
InChIKeyQGJHLFVAMFQMKE-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-hydroxyphenyl)cyclohexanecarboxamide
CID 53338609
N-(4-amino-2-bromophenyl)cyclohexanecarboxamide
CID 1133414
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
5-amino-2-(cycloheptanecarbonylamino)benzoic acid
CID 63116326
N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174818
4-amino-2-(cyclooctanecarbonylamino)benzoic acid
CID 65019508
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-(4-bromo-2-cyanophenyl)azepane-2-carboxamide
CID 82708278
N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
CID 113439096
5-amino-2-(cyclopentylmethylamino)benzonitrile
CID 61296175
N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide
CID 79953095

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide (CID 43548995) is N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide is N#Cc1cc(N)ccc1NC(=O)C1CCCCC1.
What is the InChIKey of N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide?
The InChIKey is QGJHLFVAMFQMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-9-11-8-12(16)6-7-13(11)17-14(18)10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18).
What are the key properties of N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide?
N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)cyclohexanecarboxamide is sourced from PubChem (CID 43548995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).