3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C18H26N2O2 — CID 71935196

IUPAC3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC2CC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C18H26N2O2/c1-13-9-10-16(17(21)19-13)18(22)20-11-5-8-15(20)12-14-6-3-2-4-7-14/h9-10,14-15H,2-8,11-12H2,1H3,(H,19,21)
InChIKeyFGSVGYBFGDSYPQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.26
Rot. Bonds3

About 3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 71935196) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID71935196
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC2CC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C18H26N2O2/c1-13-9-10-16(17(21)19-13)18(22)20-11-5-8-15(20)12-14-6-3-2-4-7-14/h9-10,14-15H,2-8,11-12H2,1H3,(H,19,21)
InChIKeyFGSVGYBFGDSYPQ-UHFFFAOYSA-N
XLogP3.26
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 71935196) is 3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCCC2CC2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is FGSVGYBFGDSYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-9-10-16(17(21)19-13)18(22)20-11-5-8-15(20)12-14-6-3-2-4-7-14/h9-10,14-15H,2-8,11-12H2,1H3,(H,19,21).
What are the key properties of 3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 302.42 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 71935196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).