5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C19H23N3O2 — CID 124960914

IUPAC5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)c(=O)[nH]c1C
InChIInChI=1S/C19H23N3O2/c1-13-9-17(18(23)21-14(13)2)19(24)22-8-4-6-16(12-22)10-15-5-3-7-20-11-15/h3,5,7,9,11,16H,4,6,8,10,12H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyGXVRUYLSHQCMDQ-INIZCTEOSA-N
MW325.41 g/mol
LogP2.48
Rot. Bonds3

About 5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 124960914) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID124960914
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)c(=O)[nH]c1C
InChIInChI=1S/C19H23N3O2/c1-13-9-17(18(23)21-14(13)2)19(24)22-8-4-6-16(12-22)10-15-5-3-7-20-11-15/h3,5,7,9,11,16H,4,6,8,10,12H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyGXVRUYLSHQCMDQ-INIZCTEOSA-N
XLogP2.48
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 125025852
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
(4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 124950556
(2-ethoxy-3-pyridinyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 127246482
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
1,3-oxazol-5-yl-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 95846143
(5-propyl-1,2-oxazol-3-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 124986927
(3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 50979872
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125000817
(2-cyclopropylpyrimidin-5-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110103373
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 125009158
(6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 125000089

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 124960914) is 5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)c(=O)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is GXVRUYLSHQCMDQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-9-17(18(23)21-14(13)2)19(24)22-8-4-6-16(12-22)10-15-5-3-7-20-11-15/h3,5,7,9,11,16H,4,6,8,10,12H2,1-2H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 325.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 124960914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).