4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide

C15H19N3O — CID 62308995

IUPAC4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide
SMILESCc1ccc(C#N)c(NC2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H19N3O/c1-10-2-3-12(9-16)14(8-10)18-13-6-4-11(5-7-13)15(17)19/h2-3,8,11,13,18H,4-7H2,1H3,(H2,17,19)
InChIKeyINLJWYMTBUSHIH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.32
Rot. Bonds3

About 4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide

4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide (PubChem CID 62308995) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide
PubChem CID62308995
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide
SMILESCc1ccc(C#N)c(NC2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H19N3O/c1-10-2-3-12(9-16)14(8-10)18-13-6-4-11(5-7-13)15(17)19/h2-3,8,11,13,18H,4-7H2,1H3,(H2,17,19)
InChIKeyINLJWYMTBUSHIH-UHFFFAOYSA-N
XLogP2.32
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(oxan-4-ylamino)benzonitrile
CID 62309333
4-(2-cyano-4-nitroanilino)cyclohexane-1-carboxamide
CID 60725680
2-(azepan-4-ylamino)-4-methylbenzonitrile
CID 107173825
4-methyl-2-(pyrrolidin-3-ylamino)benzonitrile
CID 62381178
4-methyl-2-[(1-methylpyrrolidin-3-yl)amino]benzonitrile
CID 55134635
2-[(2-aminocyclopropyl)amino]-4-methylbenzonitrile
CID 62307820
4-(3-cyano-4-nitroanilino)cyclohexane-1-carboxamide
CID 115500197
4-methyl-2-[(3-methylsulfanylcyclohexyl)amino]benzonitrile
CID 114123220
ethyl 4-cyano-3-[(4-piperidin-1-ylcyclohexyl)amino]benzoate
CID 67405143
2-(cyclopropylamino)-4-nitrobenzonitrile
CID 171316320
2-[(2,2-dimethylcyclopropyl)amino]-4-methylbenzonitrile
CID 62308325
ethyl 4-(5-bromo-2-cyanoanilino)piperidine-1-carboxylate
CID 114901382

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide (CID 62308995) is 4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide is Cc1ccc(C#N)c(NC2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide?
The InChIKey is INLJWYMTBUSHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-2-3-12(9-16)14(8-10)18-13-6-4-11(5-7-13)15(17)19/h2-3,8,11,13,18H,4-7H2,1H3,(H2,17,19).
What are the key properties of 4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide?
4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-5-methylanilino)cyclohexane-1-carboxamide is sourced from PubChem (CID 62308995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).