1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one

C25H32N2O4 — CID 67761381

IUPAC1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one
SMILESCC1CC(=O)N(Cc2ccccc2)C2=C1COCC2.CC1CC(=O)NC2=C1COCC2
InChIInChI=1S/C16H19NO2.C9H13NO2/c1-12-9-16(18)17(10-13-5-3-2-4-6-13)15-7-8-19-11-14(12)15;1-6-4-9(11)10-8-2-3-12-5-7(6)8/h2-6,12H,7-11H2,1H3;6H,2-5H2,1H3,(H,10,11)
InChIKeyBPZYOWRCHNRFDI-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.55
Rot. Bonds2

About 1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one

1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one (PubChem CID 67761381) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one
PubChem CID67761381
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one
SMILESCC1CC(=O)N(Cc2ccccc2)C2=C1COCC2.CC1CC(=O)NC2=C1COCC2
InChIInChI=1S/C16H19NO2.C9H13NO2/c1-12-9-16(18)17(10-13-5-3-2-4-6-13)15-7-8-19-11-14(12)15;1-6-4-9(11)10-8-2-3-12-5-7(6)8/h2-6,12H,7-11H2,1H3;6H,2-5H2,1H3,(H,10,11)
InChIKeyBPZYOWRCHNRFDI-UHFFFAOYSA-N
XLogP3.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one?
The IUPAC name of 1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one (CID 67761381) is 1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one.
What is the SMILES notation for 1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one?
The canonical SMILES for 1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one is CC1CC(=O)N(Cc2ccccc2)C2=C1COCC2.CC1CC(=O)NC2=C1COCC2.
What is the InChIKey of 1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one?
The InChIKey is BPZYOWRCHNRFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.C9H13NO2/c1-12-9-16(18)17(10-13-5-3-2-4-6-13)15-7-8-19-11-14(12)15;1-6-4-9(11)10-8-2-3-12-5-7(6)8/h2-6,12H,7-11H2,1H3;6H,2-5H2,1H3,(H,10,11).
What are the key properties of 1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one?
1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one has a molecular weight of 424.54 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one;4-methyl-1,3,4,5,7,8-hexahydropyrano[4,3-b]pyridin-2-one is sourced from PubChem (CID 67761381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).