[7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate

C18H20N2O4 — CID 175253017

IUPAC[7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCOc1cc(-c2ccc3c(c2)OCC(C)(C)C3OC(N)=O)ccn1
InChIInChI=1S/C18H20N2O4/c1-18(2)10-23-14-8-11(12-6-7-20-15(9-12)22-3)4-5-13(14)16(18)24-17(19)21/h4-9,16H,10H2,1-3H3,(H2,19,21)
InChIKeyVQRZJOYBDDMTNG-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.31
Rot. Bonds3

About [7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate

[7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (PubChem CID 175253017) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
PubChem CID175253017
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCOc1cc(-c2ccc3c(c2)OCC(C)(C)C3OC(N)=O)ccn1
InChIInChI=1S/C18H20N2O4/c1-18(2)10-23-14-8-11(12-6-7-20-15(9-12)22-3)4-5-13(14)16(18)24-17(19)21/h4-9,16H,10H2,1-3H3,(H2,19,21)
InChIKeyVQRZJOYBDDMTNG-UHFFFAOYSA-N
XLogP3.31
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [7-(2-methoxy-4-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

Related Compounds

sodium (2S,3R)-3-cyclopropyl-3-[2-[2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate
CID 145956406
sodium (2S,3R)-3-cyclopropyl-3-[2-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate
CID 145956795
3-[2-Methyl-3-(piperidin-4-yl)phenoxymethyl]pyridine
CID 25263319
[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 10020030
[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 44358574
AP5 sodium
CID 145961418
(3S)-3-cyclopropyl-3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
CID 118642372
7-(Pyridin-3-yl) coumarin
CID 137662301
sodium (2S,3R)-3-cyclopropyl-3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate
CID 145952700
sodium (2S,3R)-3-cyclopropyl-3-[2-[2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate
CID 145959273
[3-(2-Isopropyl-5-methylphenoxy)propyl](3-pyridinylmethyl)amine hydrochloride
CID 2949155
4-((2-(3-Methoxyphenethyl)phenoxy)methyl)pyridine
CID 24805442

Frequently Asked Questions

What is the IUPAC name of [7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The IUPAC name of [7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (CID 175253017) is [7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.
What is the SMILES notation for [7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The canonical SMILES for [7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is COc1cc(-c2ccc3c(c2)OCC(C)(C)C3OC(N)=O)ccn1.
What is the InChIKey of [7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The InChIKey is VQRZJOYBDDMTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-18(2)10-23-14-8-11(12-6-7-20-15(9-12)22-3)4-5-13(14)16(18)24-17(19)21/h4-9,16H,10H2,1-3H3,(H2,19,21).
What are the key properties of [7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
[7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate has a molecular weight of 328.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methoxy-4-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is sourced from PubChem (CID 175253017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).