N-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C18H25N3O2 — CID 4103173

IUPACN-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccnc1
InChIInChI=1S/C18H25N3O2/c1-18(17(23)20-15-7-3-2-4-8-15)10-9-16(22)21(18)13-14-6-5-11-19-12-14/h5-6,11-12,15H,2-4,7-10,13H2,1H3,(H,20,23)
InChIKeyBDELWGRSEYJHEJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.41
Rot. Bonds4

About N-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

N-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 4103173) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID4103173
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccnc1
InChIInChI=1S/C18H25N3O2/c1-18(17(23)20-15-7-3-2-4-8-15)10-9-16(22)21(18)13-14-6-5-11-19-12-14/h5-6,11-12,15H,2-4,7-10,13H2,1H3,(H,20,23)
InChIKeyBDELWGRSEYJHEJ-UHFFFAOYSA-N
XLogP2.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide 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 N-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 4103173) is N-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is CC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccnc1.
What is the InChIKey of N-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is BDELWGRSEYJHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(17(23)20-15-7-3-2-4-8-15)10-9-16(22)21(18)13-14-6-5-11-19-12-14/h5-6,11-12,15H,2-4,7-10,13H2,1H3,(H,20,23).
What are the key properties of N-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
N-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4103173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).