6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide

C22H31F2N3O3 — CID 147471464

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide
SMILESCCC(=O)C(CC)(CC)NC(=O)c1ccc(N2CCC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C22H31F2N3O3/c1-4-18(28)21(5-2,6-3)26-19(29)16-9-10-17(27-12-11-22(23,24)14-27)20(25-16)30-13-15-7-8-15/h9-10,15H,4-8,11-14H2,1-3H3,(H,26,29)
InChIKeyFBVXNGWCJVFXOE-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.98
Rot. Bonds10

About 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide (PubChem CID 147471464) has the molecular formula C22H31F2N3O3 and a molecular weight of 423.50 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide
PubChem CID147471464
Molecular FormulaC22H31F2N3O3
Molecular Weight423.50 g/mol
Exact Mass423.23
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide
SMILESCCC(=O)C(CC)(CC)NC(=O)c1ccc(N2CCC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C22H31F2N3O3/c1-4-18(28)21(5-2,6-3)26-19(29)16-9-10-17(27-12-11-22(23,24)14-27)20(25-16)30-13-15-7-8-15/h9-10,15H,4-8,11-14H2,1-3H3,(H,26,29)
InChIKeyFBVXNGWCJVFXOE-UHFFFAOYSA-N
XLogP3.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-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

Related Compounds

3-fluoropropyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 150028494
5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide
CID 148777129
2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-4,4-dideuterio-2-ethyl-3-fluoro-3-methylbutanoic acid
CID 174202722
ethyl 2-[[6-(cyclopropylmethoxy)-5-[3-(2,2-dideuterio-2-fluoroethyl)azetidin-1-yl]pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 155682102
ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 122179281
ethyl 2-[[6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 71087840
1-tert-butyl-1,3,3-trimethylurea;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204423
methyl (2S)-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate
CID 71087806
2-[[6-(cyclopropylmethoxy)-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethyl-3-fluorobutanoic acid
CID 172774577
2-(tert-butylamino)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204266
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 71105626
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-2-carboxamide
CID 161367264

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide (CID 147471464) is 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide is CCC(=O)C(CC)(CC)NC(=O)c1ccc(N2CCC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide?
The InChIKey is FBVXNGWCJVFXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F2N3O3/c1-4-18(28)21(5-2,6-3)26-19(29)16-9-10-17(27-12-11-22(23,24)14-27)20(25-16)30-13-15-7-8-15/h9-10,15H,4-8,11-14H2,1-3H3,(H,26,29).
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 147471464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).