3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C16H20N4O4 — CID 134802983

IUPAC3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc2onc(C3CCN(C(=O)COC)C3)c12
InChIInChI=1S/C16H20N4O4/c1-9-6-11(15(22)17-2)13-14(19-24-16(13)18-9)10-4-5-20(7-10)12(21)8-23-3/h6,10H,4-5,7-8H2,1-3H3,(H,17,22)
InChIKeyQPIHTUDVGLGSGZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.85
Rot. Bonds4

About 3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802983) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802983
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc2onc(C3CCN(C(=O)COC)C3)c12
InChIInChI=1S/C16H20N4O4/c1-9-6-11(15(22)17-2)13-14(19-24-16(13)18-9)10-4-5-20(7-10)12(21)8-23-3/h6,10H,4-5,7-8H2,1-3H3,(H,17,22)
InChIKeyQPIHTUDVGLGSGZ-UHFFFAOYSA-N
XLogP0.85
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134803876
3-[1-(4-fluorobenzoyl)piperidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134801096
6-cyclopropyl-N-methyl-3-[1-(morpholine-4-carbonyl)pyrrolidin-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802014
6-cyclopropyl-3-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802011
3-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802466
6-cyclopropyl-3-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802045
3-methoxy-1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 92601324
6-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 171922181
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134801159
1-[4-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 92601336
N-(3-methoxypropyl)-6-methyl-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134788817
3-[1-(3-chlorobenzoyl)piperidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802019

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134802983) is 3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cc(C)nc2onc(C3CCN(C(=O)COC)C3)c12.
What is the InChIKey of 3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QPIHTUDVGLGSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-9-6-11(15(22)17-2)13-14(19-24-16(13)18-9)10-4-5-20(7-10)12(21)8-23-3/h6,10H,4-5,7-8H2,1-3H3,(H,17,22).
What are the key properties of 3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).