[7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate

C24H24N2O4 — CID 175253075

IUPAC[7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCC1(C)COc2cc(-c3ccc(=O)n(Cc4ccccc4)c3)ccc2C1OC(N)=O
InChIInChI=1S/C24H24N2O4/c1-24(2)15-29-20-12-17(8-10-19(20)22(24)30-23(25)28)18-9-11-21(27)26(14-18)13-16-6-4-3-5-7-16/h3-12,14,22H,13,15H2,1-2H3,(H2,25,28)
InChIKeyQARYDDPWAOKSQN-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.12
Rot. Bonds4

About [7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate

[7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (PubChem CID 175253075) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is [7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
PubChem CID175253075
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name[7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCC1(C)COc2cc(-c3ccc(=O)n(Cc4ccccc4)c3)ccc2C1OC(N)=O
InChIInChI=1S/C24H24N2O4/c1-24(2)15-29-20-12-17(8-10-19(20)22(24)30-23(25)28)18-9-11-21(27)26(14-18)13-16-6-4-3-5-7-16/h3-12,14,22H,13,15H2,1-2H3,(H2,25,28)
InChIKeyQARYDDPWAOKSQN-UHFFFAOYSA-N
XLogP4.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate 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 [7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The IUPAC name of [7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (CID 175253075) is [7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.
What is the SMILES notation for [7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The canonical SMILES for [7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is CC1(C)COc2cc(-c3ccc(=O)n(Cc4ccccc4)c3)ccc2C1OC(N)=O.
What is the InChIKey of [7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The InChIKey is QARYDDPWAOKSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-24(2)15-29-20-12-17(8-10-19(20)22(24)30-23(25)28)18-9-11-21(27)26(14-18)13-16-6-4-3-5-7-16/h3-12,14,22H,13,15H2,1-2H3,(H2,25,28).
What are the key properties of [7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
[7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate has a molecular weight of 404.47 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is sourced from PubChem (CID 175253075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).