6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C17H20N4O2 — CID 125014374

IUPAC6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCN(C)c1cc([C@H]2CCCN2C(=O)c2cccc(=O)[nH]2)ccn1
InChIInChI=1S/C17H20N4O2/c1-20(2)15-11-12(8-9-18-15)14-6-4-10-21(14)17(23)13-5-3-7-16(22)19-13/h3,5,7-9,11,14H,4,6,10H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyWLVQJIMRTUKTLK-CQSZACIVSA-N
MW312.37 g/mol
LogP1.81
Rot. Bonds3

About 6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 125014374) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID125014374
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCN(C)c1cc([C@H]2CCCN2C(=O)c2cccc(=O)[nH]2)ccn1
InChIInChI=1S/C17H20N4O2/c1-20(2)15-11-12(8-9-18-15)14-6-4-10-21(14)17(23)13-5-3-7-16(22)19-13/h3,5,7-9,11,14H,4,6,10H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyWLVQJIMRTUKTLK-CQSZACIVSA-N
XLogP1.81
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 124973567
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 125001075
2H-benzotriazol-5-yl-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 124994429
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 175652507
6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 91791269
1-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 124980402
[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 127246847
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone
CID 124999262
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone
CID 124952617
2-[2-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 124997560
1-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 127246800
[2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 110107752

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 125014374) is 6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is CN(C)c1cc([C@H]2CCCN2C(=O)c2cccc(=O)[nH]2)ccn1.
What is the InChIKey of 6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is WLVQJIMRTUKTLK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20(2)15-11-12(8-9-18-15)14-6-4-10-21(14)17(23)13-5-3-7-16(22)19-13/h3,5,7-9,11,14H,4,6,10H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of 6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 312.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 125014374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).