(2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide

C19H29N3O2 — CID 96999867

IUPAC(2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCC[C@@H]2CC2CCCCC2)ccn1
InChIInChI=1S/C19H29N3O2/c1-24-18-13-16(9-10-20-18)14-21-19(23)22-11-5-8-17(22)12-15-6-3-2-4-7-15/h9-10,13,15,17H,2-8,11-12,14H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyINLCJPDVHDXEEH-QGZVFWFLSA-N
MW331.46 g/mol
LogP3.73
Rot. Bonds5

About (2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide

(2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 96999867) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
PubChem CID96999867
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCC[C@@H]2CC2CCCCC2)ccn1
InChIInChI=1S/C19H29N3O2/c1-24-18-13-16(9-10-20-18)14-21-19(23)22-11-5-8-17(22)12-15-6-3-2-4-7-15/h9-10,13,15,17H,2-8,11-12,14H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyINLCJPDVHDXEEH-QGZVFWFLSA-N
XLogP3.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 94871507
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 87003451
N-[(2-methoxy-4-pyridinyl)methyl]-3-(oxan-4-ylmethyl)morpholine-4-carboxamide
CID 136568232
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide
CID 94052771
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47048297
1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 87003445
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylmorpholine-4-carboxamide
CID 71940734
2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111427840
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 34677256

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide (CID 96999867) is (2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide is COc1cc(CNC(=O)N2CCC[C@@H]2CC2CCCCC2)ccn1.
What is the InChIKey of (2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is INLCJPDVHDXEEH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-24-18-13-16(9-10-20-18)14-21-19(23)22-11-5-8-17(22)12-15-6-3-2-4-7-15/h9-10,13,15,17H,2-8,11-12,14H2,1H3,(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
(2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 96999867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).