3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide

C17H21N3O — CID 154748751

IUPAC3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide
SMILESN#Cc1ccc(NC2CCCC(C(=O)NC3CC3)C2)cc1
InChIInChI=1S/C17H21N3O/c18-11-12-4-6-14(7-5-12)19-16-3-1-2-13(10-16)17(21)20-15-8-9-15/h4-7,13,15-16,19H,1-3,8-10H2,(H,20,21)
InChIKeyFLXAAPMHCMCGOC-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.81
Rot. Bonds4

About 3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide

3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide (PubChem CID 154748751) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide
PubChem CID154748751
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide
SMILESN#Cc1ccc(NC2CCCC(C(=O)NC3CC3)C2)cc1
InChIInChI=1S/C17H21N3O/c18-11-12-4-6-14(7-5-12)19-16-3-1-2-13(10-16)17(21)20-15-8-9-15/h4-7,13,15-16,19H,1-3,8-10H2,(H,20,21)
InChIKeyFLXAAPMHCMCGOC-UHFFFAOYSA-N
XLogP2.81
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide 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

(3S)-1-[2-(4-cyanoanilino)acetyl]-N-cyclopropylpiperidine-3-carboxamide
CID 94392086
4-(4-cyanoanilino)piperidine-1-carboxylic acid
CID 69182626
3-(2-acetyl-5-cyanoanilino)-N-propan-2-ylcyclohexane-1-carboxamide
CID 133458221
(3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95545433
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95551898
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
CID 112985012
2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide
CID 24853690
4-(oxan-4-ylamino)benzonitrile
CID 43608433
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
N-[(1S,3R)-3-(cyclopropylcarbamoyl)cyclohexyl]-4-prop-2-ynoxybenzamide
CID 96995997

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide?
The IUPAC name of 3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide (CID 154748751) is 3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide?
The canonical SMILES for 3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide is N#Cc1ccc(NC2CCCC(C(=O)NC3CC3)C2)cc1.
What is the InChIKey of 3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide?
The InChIKey is FLXAAPMHCMCGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-11-12-4-6-14(7-5-12)19-16-3-1-2-13(10-16)17(21)20-15-8-9-15/h4-7,13,15-16,19H,1-3,8-10H2,(H,20,21).
What are the key properties of 3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide?
3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanoanilino)-N-cyclopropylcyclohexane-1-carboxamide is sourced from PubChem (CID 154748751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).