1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one

C21H27N3O3 — CID 125299164

IUPAC1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one
SMILESCOCCn1c(C)cc(C)c(C(=O)N2CCCC[C@@H]2c2cccnc2)c1=O
InChIInChI=1S/C21H27N3O3/c1-15-13-16(2)23(11-12-27-3)20(25)19(15)21(26)24-10-5-4-8-18(24)17-7-6-9-22-14-17/h6-7,9,13-14,18H,4-5,8,10-12H2,1-3H3/t18-/m1/s1
InChIKeyYLKPZJYPVSPSNZ-GOSISDBHSA-N
MW369.47 g/mol
LogP2.87
Rot. Bonds5

About 1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one

1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one (PubChem CID 125299164) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one
PubChem CID125299164
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one
SMILESCOCCn1c(C)cc(C)c(C(=O)N2CCCC[C@@H]2c2cccnc2)c1=O
InChIInChI=1S/C21H27N3O3/c1-15-13-16(2)23(11-12-27-3)20(25)19(15)21(26)24-10-5-4-8-18(24)17-7-6-9-22-14-17/h6-7,9,13-14,18H,4-5,8,10-12H2,1-3H3/t18-/m1/s1
InChIKeyYLKPZJYPVSPSNZ-GOSISDBHSA-N
XLogP2.87
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one with MolForge

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 163091248
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
CID 74249642
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7640907
[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 118786072
6,7-dimethoxy-2-methyl-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one
CID 124802468
(3-ethyl-1,2-oxazol-5-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45205865
(5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 65311628
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one (CID 125299164) is 1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one is COCCn1c(C)cc(C)c(C(=O)N2CCCC[C@@H]2c2cccnc2)c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one?
The InChIKey is YLKPZJYPVSPSNZ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-13-16(2)23(11-12-27-3)20(25)19(15)21(26)24-10-5-4-8-18(24)17-7-6-9-22-14-17/h6-7,9,13-14,18H,4-5,8,10-12H2,1-3H3/t18-/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one?
1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one has a molecular weight of 369.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4,6-dimethyl-3-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 125299164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).