1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one

C16H23N3O2 — CID 167791427

IUPAC1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCN1CCCC1C1CCCN1C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C16H23N3O2/c1-17-8-3-5-13(17)14-6-4-9-19(14)16(21)12-7-10-18(2)15(20)11-12/h7,10-11,13-14H,3-6,8-9H2,1-2H3
InChIKeyDLMGAHOBTXMWSQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.08
Rot. Bonds2

About 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one

1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one (PubChem CID 167791427) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
PubChem CID167791427
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCN1CCCC1C1CCCN1C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C16H23N3O2/c1-17-8-3-5-13(17)14-6-4-9-19(14)16(21)12-7-10-18(2)15(20)11-12/h7,10-11,13-14H,3-6,8-9H2,1-2H3
InChIKeyDLMGAHOBTXMWSQ-UHFFFAOYSA-N
XLogP1.08
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one (CID 167791427) is 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one is CN1CCCC1C1CCCN1C(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one?
The InChIKey is DLMGAHOBTXMWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-8-3-5-13(17)14-6-4-9-19(14)16(21)12-7-10-18(2)15(20)11-12/h7,10-11,13-14H,3-6,8-9H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one?
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 167791427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).