4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one

C25H27N3O3 — CID 172665946

IUPAC4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one
SMILESCc1ccn(-c2cccc(C(C)C)c2)c(=O)c1C(=O)N1CCOC(c2cccnc2)C1
InChIInChI=1S/C25H27N3O3/c1-17(2)19-6-4-8-21(14-19)28-11-9-18(3)23(25(28)30)24(29)27-12-13-31-22(16-27)20-7-5-10-26-15-20/h4-11,14-15,17,22H,12-13,16H2,1-3H3
InChIKeyYPXOREJYTQCXHL-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.88
Rot. Bonds4

About 4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one

4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one (PubChem CID 172665946) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one
PubChem CID172665946
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one
SMILESCc1ccn(-c2cccc(C(C)C)c2)c(=O)c1C(=O)N1CCOC(c2cccnc2)C1
InChIInChI=1S/C25H27N3O3/c1-17(2)19-6-4-8-21(14-19)28-11-9-18(3)23(25(28)30)24(29)27-12-13-31-22(16-27)20-7-5-10-26-15-20/h4-11,14-15,17,22H,12-13,16H2,1-3H3
InChIKeyYPXOREJYTQCXHL-UHFFFAOYSA-N
XLogP3.88
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one with MolForge

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Related Compounds

3-[(3aR,4R,7aS)-4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-4-methyl-1-(3-propan-2-ylphenyl)pyridin-2-one;hydrochloride
CID 172912565
3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-1-(3-propan-2-ylphenyl)pyridin-2-one
CID 172662628
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
[3-(3-methoxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylmorpholin-4-yl)methanone
CID 169418355
(2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide
CID 97105209
(5-methoxy-1H-indol-2-yl)-(2-pyridin-3-ylmorpholin-4-yl)methanone
CID 91797517
[(2R)-2-(2-bromophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124571795
(3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 31415200
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124948273
(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 107518605

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one?
The IUPAC name of 4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one (CID 172665946) is 4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one.
What is the SMILES notation for 4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one?
The canonical SMILES for 4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one is Cc1ccn(-c2cccc(C(C)C)c2)c(=O)c1C(=O)N1CCOC(c2cccnc2)C1.
What is the InChIKey of 4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one?
The InChIKey is YPXOREJYTQCXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17(2)19-6-4-8-21(14-19)28-11-9-18(3)23(25(28)30)24(29)27-12-13-31-22(16-27)20-7-5-10-26-15-20/h4-11,14-15,17,22H,12-13,16H2,1-3H3.
What are the key properties of 4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one?
4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one has a molecular weight of 417.51 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one is sourced from PubChem (CID 172665946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).