1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one

C23H23N3O3 — CID 110270348

IUPAC1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCc1ccc(Oc2cccc(C3CCCN3C(=O)c3ccc(=O)n(C)c3)n2)cc1
InChIInChI=1S/C23H23N3O3/c1-16-8-11-18(12-9-16)29-21-7-3-5-19(24-21)20-6-4-14-26(20)23(28)17-10-13-22(27)25(2)15-17/h3,5,7-13,15,20H,4,6,14H2,1-2H3
InChIKeyAINWWBSAOVMAID-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.86
Rot. Bonds4

About 1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one

1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one (PubChem CID 110270348) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one
PubChem CID110270348
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCc1ccc(Oc2cccc(C3CCCN3C(=O)c3ccc(=O)n(C)c3)n2)cc1
InChIInChI=1S/C23H23N3O3/c1-16-8-11-18(12-9-16)29-21-7-3-5-19(24-21)20-6-4-14-26(20)23(28)17-10-13-22(27)25(2)15-17/h3,5,7-13,15,20H,4,6,14H2,1-2H3
InChIKeyAINWWBSAOVMAID-UHFFFAOYSA-N
XLogP3.86
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110270269
(2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 110270300
1-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 110270247
1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95846664
1-[2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110271435
5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 95175088
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 95815176
5-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70770514
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
1-methyl-5-[(2R,3R,6R)-3-(4-methylphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecane-5-carbonyl]pyridin-2-one
CID 72914177
4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 92637327

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one (CID 110270348) is 1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one is Cc1ccc(Oc2cccc(C3CCCN3C(=O)c3ccc(=O)n(C)c3)n2)cc1.
What is the InChIKey of 1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one?
The InChIKey is AINWWBSAOVMAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-8-11-18(12-9-16)29-21-7-3-5-19(24-21)20-6-4-14-26(20)23(28)17-10-13-22(27)25(2)15-17/h3,5,7-13,15,20H,4,6,14H2,1-2H3.
What are the key properties of 1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one?
1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 110270348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).