N-(1-cyanocyclohexyl)naphthalene-2-carboxamide

C18H18N2O — CID 60659273

IUPACN-(1-cyanocyclohexyl)naphthalene-2-carboxamide
SMILESN#CC1(NC(=O)c2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C18H18N2O/c19-13-18(10-4-1-5-11-18)20-17(21)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,21)
InChIKeyQCGFGIZCUQWECV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.80
Rot. Bonds2

About N-(1-cyanocyclohexyl)naphthalene-2-carboxamide

N-(1-cyanocyclohexyl)naphthalene-2-carboxamide (PubChem CID 60659273) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)naphthalene-2-carboxamide
PubChem CID60659273
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(1-cyanocyclohexyl)naphthalene-2-carboxamide
SMILESN#CC1(NC(=O)c2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C18H18N2O/c19-13-18(10-4-1-5-11-18)20-17(21)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,21)
InChIKeyQCGFGIZCUQWECV-UHFFFAOYSA-N
XLogP3.80
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)naphthalene-2-carboxamide?
The IUPAC name of N-(1-cyanocyclohexyl)naphthalene-2-carboxamide (CID 60659273) is N-(1-cyanocyclohexyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclohexyl)naphthalene-2-carboxamide is N#CC1(NC(=O)c2ccc3ccccc3c2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)naphthalene-2-carboxamide?
The InChIKey is QCGFGIZCUQWECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c19-13-18(10-4-1-5-11-18)20-17(21)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,21).
What are the key properties of N-(1-cyanocyclohexyl)naphthalene-2-carboxamide?
N-(1-cyanocyclohexyl)naphthalene-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)naphthalene-2-carboxamide is sourced from PubChem (CID 60659273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).