ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate

C22H33N3O5 — CID 122179281

IUPACethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(O[11CH3])C2)c(OCC2CC2)n1
InChIInChI=1S/C22H33N3O5/c1-5-22(6-2,21(27)29-7-3)24-19(26)17-10-11-18(25-12-16(13-25)28-4)20(23-17)30-14-15-8-9-15/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,26)/i4-1
InChIKeyIXMCJACYFJDRFX-NUTRPMROSA-N
MW418.52 g/mol
LogP2.56
Rot. Bonds11

About ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate

ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate (PubChem CID 122179281) has the molecular formula C22H33N3O5 and a molecular weight of 418.52 g/mol. Its IUPAC name is ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate.

Molecular Properties

Compound Nameethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
PubChem CID122179281
Molecular FormulaC22H33N3O5
Molecular Weight418.52 g/mol
Exact Mass418.25
IUPAC Nameethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(O[11CH3])C2)c(OCC2CC2)n1
InChIInChI=1S/C22H33N3O5/c1-5-22(6-2,21(27)29-7-3)24-19(26)17-10-11-18(25-12-16(13-25)28-4)20(23-17)30-14-15-8-9-15/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,26)/i4-1
InChIKeyIXMCJACYFJDRFX-NUTRPMROSA-N
XLogP2.56
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate with MolForge

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Related Compounds

ethyl 2-[[6-(cyclopropylmethoxy)-5-[3-(2,2-dideuterio-2-fluoroethyl)azetidin-1-yl]pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 155682102
ethyl 2-ethyl-2-[[6-[(1-fluorocyclopropyl)methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoate
CID 146289213
ethyl 2-[[6-[[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 156677543
ethyl 2-[[6-[[(1S,2S)-2-[(2,2-dideuterio-2-fluoroethoxy)methyl]cyclopropyl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 171472425
2-[[6-(cyclopropylmethoxy)-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethyl-3-fluorobutanoic acid
CID 172774577
ethyl 2-[[6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 71087840
ethyl 2-ethyl-2-[[6-[[3-(3-fluoropropoxymethyl)oxetan-3-yl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoate
CID 146289153
ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate
CID 146289348
3-fluoropropyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 150028494
3,4-dideuterio-2-ethyl-2-[[6-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid
CID 175889197
2-ethyl-2-[[6-[3-(fluoromethoxy)-2,2-dimethylpropoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoic acid
CID 146289279
6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide
CID 147471464

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The IUPAC name of ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate (CID 122179281) is ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate.
What is the SMILES notation for ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The canonical SMILES for ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate is CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(O[11CH3])C2)c(OCC2CC2)n1.
What is the InChIKey of ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The InChIKey is IXMCJACYFJDRFX-NUTRPMROSA-N. The full InChI is InChI=1S/C22H33N3O5/c1-5-22(6-2,21(27)29-7-3)24-19(26)17-10-11-18(25-12-16(13-25)28-4)20(23-17)30-14-15-8-9-15/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,26)/i4-1.
What are the key properties of ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate has a molecular weight of 418.52 g/mol, XLogP of 2.56, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-(111C)methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate is sourced from PubChem (CID 122179281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).