2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide

C17H25N3O3 — CID 127248632

IUPAC2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCOCC(=O)N1CCC(c2ncccc2C(=O)NCC(C)C)C1
InChIInChI=1S/C17H25N3O3/c1-12(2)9-19-17(22)14-5-4-7-18-16(14)13-6-8-20(10-13)15(21)11-23-3/h4-5,7,12-13H,6,8-11H2,1-3H3,(H,19,22)
InChIKeyLIEXEWGXZIYSDO-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.43
Rot. Bonds6

About 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide

2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 127248632) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID127248632
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCOCC(=O)N1CCC(c2ncccc2C(=O)NCC(C)C)C1
InChIInChI=1S/C17H25N3O3/c1-12(2)9-19-17(22)14-5-4-7-18-16(14)13-6-8-20(10-13)15(21)11-23-3/h4-5,7,12-13H,6,8-11H2,1-3H3,(H,19,22)
InChIKeyLIEXEWGXZIYSDO-UHFFFAOYSA-N
XLogP1.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[(3R)-3-[2-methyl-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124969001
2-methoxy-1-[(3S)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124962657
2-[(3S)-1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92637717
ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 123830280
7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92610698
2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638758
2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 46044678
3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one
CID 95843540
2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256403
2-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 95812944
1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110089878
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide (CID 127248632) is 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide is COCC(=O)N1CCC(c2ncccc2C(=O)NCC(C)C)C1.
What is the InChIKey of 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is LIEXEWGXZIYSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)9-19-17(22)14-5-4-7-18-16(14)13-6-8-20(10-13)15(21)11-23-3/h4-5,7,12-13H,6,8-11H2,1-3H3,(H,19,22).
What are the key properties of 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide?
2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 127248632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).