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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Related Compounds

1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 43356068
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 119260194
1,3-dihydro-2-benzofuran-5-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95342094
1-methyl-4-[(2S)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridin-2-one
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3-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]benzonitrile
CID 95303105
(3-methoxy-4-methylphenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95291169
[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95303191
3-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]benzonitrile
CID 129428393
[3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95292652
2-(1-methyl-2-oxopyridine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102891536
1-methyl-4-[(2R)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 94098635
6-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
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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).