4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one

C25H26N2O3 — CID 162179189

IUPAC4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one
SMILESCc1ccc(-c2cc(C(=O)CCc3c(C)cc(C)[nH]c3=O)cc3c2OC(C)C3)cn1
InChIInChI=1S/C25H26N2O3/c1-14-9-16(3)27-25(29)21(14)7-8-23(28)19-11-20-10-17(4)30-24(20)22(12-19)18-6-5-15(2)26-13-18/h5-6,9,11-13,17H,7-8,10H2,1-4H3,(H,27,29)
InChIKeyZOUGCNFEAHGQDW-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.50
Rot. Bonds5

About 4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one

4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one (PubChem CID 162179189) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one
PubChem CID162179189
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one
SMILESCc1ccc(-c2cc(C(=O)CCc3c(C)cc(C)[nH]c3=O)cc3c2OC(C)C3)cn1
InChIInChI=1S/C25H26N2O3/c1-14-9-16(3)27-25(29)21(14)7-8-23(28)19-11-20-10-17(4)30-24(20)22(12-19)18-6-5-15(2)26-13-18/h5-6,9,11-13,17H,7-8,10H2,1-4H3,(H,27,29)
InChIKeyZOUGCNFEAHGQDW-UHFFFAOYSA-N
XLogP4.50
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[3-(2,2-dimethyl-7-quinolin-3-yl-3H-1-benzofuran-5-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one
CID 158317108
3-[3-[2,2-dimethyl-7-(4-piperazin-1-ylphenyl)-3H-1-benzofuran-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one
CID 159678606
3-[3-[2-ethenyl-2-methyl-7-(6-piperazin-1-yl-3-pyridinyl)-3H-1-benzofuran-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;3-[3-[2-ethyl-2-methyl-7-(6-piperazin-1-yl-3-pyridinyl)-3H-1-benzofuran-5-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one
CID 159323948
3-[3-[(3aS,8bS)-5-(4-piperazin-1-ylphenyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-7-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one
CID 159272114
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-7-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 139269102
3-[3-(7-bromospiro[2H-1-benzofuran-3,1'-cyclopentane]-5-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyridin-2-one;4,6-dimethyl-3-[3-oxo-3-[7-(6-piperazin-1-yl-3-pyridinyl)spiro[2H-1-benzofuran-3,1'-cyclopentane]-5-yl]propyl]-1H-pyridin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
CID 161479854
2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 69108447
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-7-(6-piperazin-1-yl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 139269104
1-benzyl-6-[3-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)propanoyl]-3,4-dihydroquinolin-2-one
CID 158430852
1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,2-benzazaphosphole-4-carboxamide
CID 135183050
4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide
CID 27170949
(2R)-N-[[(2S)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-2-carboxamide
CID 42407934

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one (CID 162179189) is 4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one is Cc1ccc(-c2cc(C(=O)CCc3c(C)cc(C)[nH]c3=O)cc3c2OC(C)C3)cn1.
What is the InChIKey of 4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one?
The InChIKey is ZOUGCNFEAHGQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-14-9-16(3)27-25(29)21(14)7-8-23(28)19-11-20-10-17(4)30-24(20)22(12-19)18-6-5-15(2)26-13-18/h5-6,9,11-13,17H,7-8,10H2,1-4H3,(H,27,29).
What are the key properties of 4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one has a molecular weight of 402.49 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[3-[2-methyl-7-(6-methyl-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-yl]-3-oxopropyl]-1H-pyridin-2-one is sourced from PubChem (CID 162179189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).