tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate

C17H18N2O3 — CID 90357824

IUPACtert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C17H18N2O3/c1-17(2,3)22-16(20)19-12-4-5-14-13-6-7-18-9-11(13)10-21-15(14)8-12/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyJDHDBMDRMLKURQ-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.99
Rot. Bonds1

About tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate

tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate (PubChem CID 90357824) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate
PubChem CID90357824
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nametert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C17H18N2O3/c1-17(2,3)22-16(20)19-12-4-5-14-13-6-7-18-9-11(13)10-21-15(14)8-12/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyJDHDBMDRMLKURQ-UHFFFAOYSA-N
XLogP3.99
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-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

N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-phenylacetamide
CID 121363957
2-amino-N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-phenylacetamide
CID 90357812
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
CID 134368267
8-[(2S)-2-amino-4-methylpentoxy]-5H-chromeno[3,4-c]pyridine-9-carbonitrile;tert-butyl N-[(2S)-1-[(9-cyano-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate
CID 157242930
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate
CID 130642262
N-(2-methoxy-1-phenylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 144769773
[5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate
CID 129159122
methyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate
CID 13027362
tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate
CID 166597114
tert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate
CID 71748542
tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate
CID 178174217

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate?
The IUPAC name of tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate (CID 90357824) is tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate?
The canonical SMILES for tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate?
The InChIKey is JDHDBMDRMLKURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-17(2,3)22-16(20)19-12-4-5-14-13-6-7-18-9-11(13)10-21-15(14)8-12/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate?
tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate has a molecular weight of 298.34 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate is sourced from PubChem (CID 90357824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).