4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one

C18H23N3O3 — CID 177139862

IUPAC4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one
SMILESCOCC1CCCN1c1cc(-c2cc(OC)ncc2C)cc(=O)[nH]1
InChIInChI=1S/C18H23N3O3/c1-12-10-19-18(24-3)9-15(12)13-7-16(20-17(22)8-13)21-6-4-5-14(21)11-23-2/h7-10,14H,4-6,11H2,1-3H3,(H,20,22)
InChIKeyXATWUMJCPPOZPC-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.37
Rot. Bonds5

About 4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one

4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one (PubChem CID 177139862) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one
PubChem CID177139862
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one
SMILESCOCC1CCCN1c1cc(-c2cc(OC)ncc2C)cc(=O)[nH]1
InChIInChI=1S/C18H23N3O3/c1-12-10-19-18(24-3)9-15(12)13-7-16(20-17(22)8-13)21-6-4-5-14(21)11-23-2/h7-10,14H,4-6,11H2,1-3H3,(H,20,22)
InChIKeyXATWUMJCPPOZPC-UHFFFAOYSA-N
XLogP2.37
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one (CID 177139862) is 4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one is COCC1CCCN1c1cc(-c2cc(OC)ncc2C)cc(=O)[nH]1.
What is the InChIKey of 4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one?
The InChIKey is XATWUMJCPPOZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-10-19-18(24-3)9-15(12)13-7-16(20-17(22)8-13)21-6-4-5-14(21)11-23-2/h7-10,14H,4-6,11H2,1-3H3,(H,20,22).
What are the key properties of 4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one?
4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one has a molecular weight of 329.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methyl-4-pyridinyl)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 177139862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).