tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate

C19H23N3O3 — CID 165409299

IUPACtert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCOc2c(-c3ccnnc3)cccc21
InChIInChI=1S/C19H23N3O3/c1-19(2,3)25-18(23)20-11-14-8-10-24-17-15(5-4-6-16(14)17)13-7-9-21-22-12-13/h4-7,9,12,14H,8,10-11H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyCOAVNTIGIKOTJK-AWEZNQCLSA-N
MW341.41 g/mol
LogP3.53
Rot. Bonds3

About tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate

tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate (PubChem CID 165409299) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate
PubChem CID165409299
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nametert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCOc2c(-c3ccnnc3)cccc21
InChIInChI=1S/C19H23N3O3/c1-19(2,3)25-18(23)20-11-14-8-10-24-17-15(5-4-6-16(14)17)13-7-9-21-22-12-13/h4-7,9,12,14H,8,10-11H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyCOAVNTIGIKOTJK-AWEZNQCLSA-N
XLogP3.53
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate with MolForge

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Related Compounds

N-methyl-1-[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 165409301
tert-butyl N-[[(4R)-8-(4-cyanophenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate
CID 175998709
tert-butyl N-[[(1S)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate
CID 140959168
[(4R)-8-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-chromen-4-yl]methylcarbamic acid
CID 174232188
methyl N-[[(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate
CID 137460155
tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate
CID 118597927
1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine
CID 174237193
4-[(4R)-4-(methylaminomethyl)-3,4-dihydro-2H-chromen-8-yl]benzonitrile
CID 171496483
tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate
CID 68925073
tert-butyl N-[(5-formyl-3,4-dihydro-1H-isochromen-1-yl)methyl]carbamate
CID 137476982
tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
CID 59021765
tert-butyl 3-[[N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-methylcarbamimidoyl]amino]azetidine-1-carboxylate
CID 109467006

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate (CID 165409299) is tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1CCOc2c(-c3ccnnc3)cccc21.
What is the InChIKey of tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate?
The InChIKey is COAVNTIGIKOTJK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(2,3)25-18(23)20-11-14-8-10-24-17-15(5-4-6-16(14)17)13-7-9-21-22-12-13/h4-7,9,12,14H,8,10-11H2,1-3H3,(H,20,23)/t14-/m0/s1.
What are the key properties of tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate?
tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate has a molecular weight of 341.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(4R)-8-pyridazin-4-yl-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate is sourced from PubChem (CID 165409299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).