tert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate

C18H16N2O5 — CID 176536412

IUPACtert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)C(=C=O)c1ccc(=O)[nH]c1O2
InChIInChI=1S/C18H16N2O5/c1-18(2,3)25-17(23)19-10-4-6-14-12(8-10)13(9-21)11-5-7-15(22)20-16(11)24-14/h4-8H,1-3H3,(H,19,23)(H,20,22)
InChIKeyKCPFCQHCUKZSRA-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.09
Rot. Bonds1

About tert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate

tert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate (PubChem CID 176536412) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate
PubChem CID176536412
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Nametert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)C(=C=O)c1ccc(=O)[nH]c1O2
InChIInChI=1S/C18H16N2O5/c1-18(2,3)25-17(23)19-10-4-6-14-12(8-10)13(9-21)11-5-7-15(22)20-16(11)24-14/h4-8H,1-3H3,(H,19,23)(H,20,22)
InChIKeyKCPFCQHCUKZSRA-UHFFFAOYSA-N
XLogP3.09
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-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

tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-7-yl)carbamate
CID 71748542
tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate
CID 53218281
tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
CID 131885239
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
CID 134368267
tert-butyl N-(2,3-dihydro-1H-isoindol-5-yl)carbamate
CID 67369231
tert-butyl N-(4-formyl-3-methylphenyl)carbamate
CID 84797413
tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate
CID 130642262
tert-butyl N-(3-isocyanato-4-methylphenyl)carbamate
CID 71331875
CID 164562081
CID 164562081
tert-butyl N-[4-[amino(methyl)carbamoyl]phenyl]carbamate
CID 22419684
tert-butyl N-[2-(2-acetamido-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbamate
CID 123861594

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate (CID 176536412) is tert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc2c(c1)C(=C=O)c1ccc(=O)[nH]c1O2.
What is the InChIKey of tert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate?
The InChIKey is KCPFCQHCUKZSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-18(2,3)25-17(23)19-10-4-6-14-12(8-10)13(9-21)11-5-7-15(22)20-16(11)24-14/h4-8H,1-3H3,(H,19,23)(H,20,22).
What are the key properties of tert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate?
tert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate has a molecular weight of 340.34 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-5-(oxomethylidene)-1H-chromeno[2,3-b]pyridin-7-yl]carbamate is sourced from PubChem (CID 176536412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).