tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate

C20H24N2O3 — CID 137476970

IUPACtert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1OCCc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C20H24N2O3/c1-20(2,3)25-19(23)22-13-18-17-7-6-14(11-15(17)8-10-24-18)16-5-4-9-21-12-16/h4-7,9,11-12,18H,8,10,13H2,1-3H3,(H,22,23)/t18-/m0/s1
InChIKeyADTMOGPXDBQAAL-SFHVURJKSA-N
MW340.42 g/mol
LogP3.89
Rot. Bonds3

About tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate

tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate (PubChem CID 137476970) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate
PubChem CID137476970
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nametert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1OCCc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C20H24N2O3/c1-20(2,3)25-19(23)22-13-18-17-7-6-14(11-15(17)8-10-24-18)16-5-4-9-21-12-16/h4-7,9,11-12,18H,8,10,13H2,1-3H3,(H,22,23)/t18-/m0/s1
InChIKeyADTMOGPXDBQAAL-SFHVURJKSA-N
XLogP3.89
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]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

tert-butyl N-[[(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate;[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;[(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 161079764
tert-butyl N-[[(1S)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate
CID 140959168
[(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137476884
tert-butyl N-[(5-formyl-3,4-dihydro-1H-isochromen-1-yl)methyl]carbamate
CID 137476982
tert-butyl N-[(8-ethenyl-3,4-dihydro-1H-isochromen-1-yl)methyl]carbamate
CID 165145590
butyl N-[(2-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]carbamate
CID 142739191
tert-butyl N-[[5-(5-iodosulfanyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate
CID 137477360
tert-butyl N-methyl-N-[(5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl)methyl]carbamate
CID 137477358
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-pyridin-3-ylacetamide
CID 99957581
tert-butyl N-(3,6,7,9-tetrahydro-1H-furo[3,4-h]isochromen-9-ylmethyl)carbamate
CID 175402544
methyl N-[[(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate
CID 137460155
N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460178

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate (CID 137476970) is tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1OCCc2cc(-c3cccnc3)ccc21.
What is the InChIKey of tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate?
The InChIKey is ADTMOGPXDBQAAL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)25-19(23)22-13-18-17-7-6-14(11-15(17)8-10-24-18)16-5-4-9-21-12-16/h4-7,9,11-12,18H,8,10,13H2,1-3H3,(H,22,23)/t18-/m0/s1.
What are the key properties of tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate?
tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate is sourced from PubChem (CID 137476970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).