6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one

C21H24N2O — CID 166367431

IUPAC6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one
SMILESCn1ccc2ccn(Cc3ccc(C4CCCCC4)cc3)c(=O)c21
InChIInChI=1S/C21H24N2O/c1-22-13-11-19-12-14-23(21(24)20(19)22)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-14,17H,2-6,15H2,1H3
InChIKeyNHISJFQONBNLIZ-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.44
Rot. Bonds3

About 6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one

6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one (PubChem CID 166367431) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one
PubChem CID166367431
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one
SMILESCn1ccc2ccn(Cc3ccc(C4CCCCC4)cc3)c(=O)c21
InChIInChI=1S/C21H24N2O/c1-22-13-11-19-12-14-23(21(24)20(19)22)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-14,17H,2-6,15H2,1H3
InChIKeyNHISJFQONBNLIZ-UHFFFAOYSA-N
XLogP4.44
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one (CID 166367431) is 6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one is Cn1ccc2ccn(Cc3ccc(C4CCCCC4)cc3)c(=O)c21.
What is the InChIKey of 6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one?
The InChIKey is NHISJFQONBNLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-22-13-11-19-12-14-23(21(24)20(19)22)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-14,17H,2-6,15H2,1H3.
What are the key properties of 6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one?
6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one has a molecular weight of 320.44 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyclohexylphenyl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 166367431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).