2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one

C22H22N2O — CID 14448780

IUPAC2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one
SMILESO=C1CCCCC1C(Nc1ccc2ccccc2c1)c1cccnc1
InChIInChI=1S/C22H22N2O/c25-21-10-4-3-9-20(21)22(18-8-5-13-23-15-18)24-19-12-11-16-6-1-2-7-17(16)14-19/h1-2,5-8,11-15,20,22,24H,3-4,9-10H2
InChIKeyFHMYXZJSUCPNII-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.15
Rot. Bonds4

About 2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one

2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one (PubChem CID 14448780) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one
PubChem CID14448780
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one
SMILESO=C1CCCCC1C(Nc1ccc2ccccc2c1)c1cccnc1
InChIInChI=1S/C22H22N2O/c25-21-10-4-3-9-20(21)22(18-8-5-13-23-15-18)24-19-12-11-16-6-1-2-7-17(16)14-19/h1-2,5-8,11-15,20,22,24H,3-4,9-10H2
InChIKeyFHMYXZJSUCPNII-UHFFFAOYSA-N
XLogP5.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one?
The IUPAC name of 2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one (CID 14448780) is 2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one?
The canonical SMILES for 2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one is O=C1CCCCC1C(Nc1ccc2ccccc2c1)c1cccnc1.
What is the InChIKey of 2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one?
The InChIKey is FHMYXZJSUCPNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c25-21-10-4-3-9-20(21)22(18-8-5-13-23-15-18)24-19-12-11-16-6-1-2-7-17(16)14-19/h1-2,5-8,11-15,20,22,24H,3-4,9-10H2.
What are the key properties of 2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one?
2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one has a molecular weight of 330.43 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(naphthalen-2-ylamino)-pyridin-3-ylmethyl]cyclohexan-1-one is sourced from PubChem (CID 14448780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).