3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate

C16H15ClN2O3 — CID 118588885

IUPAC3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Cl)cc1)OC1CCOc2ncccc21
InChIInChI=1S/C16H15ClN2O3/c17-12-5-3-11(4-6-12)10-19-16(20)22-14-7-9-21-15-13(14)2-1-8-18-15/h1-6,8,14H,7,9-10H2,(H,19,20)
InChIKeyGNTZWPZTUHKLSH-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.48
Rot. Bonds3

About 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate

3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate (PubChem CID 118588885) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate
PubChem CID118588885
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Cl)cc1)OC1CCOc2ncccc21
InChIInChI=1S/C16H15ClN2O3/c17-12-5-3-11(4-6-12)10-19-16(20)22-14-7-9-21-15-13(14)2-1-8-18-15/h1-6,8,14H,7,9-10H2,(H,19,20)
InChIKeyGNTZWPZTUHKLSH-UHFFFAOYSA-N
XLogP3.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)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

2,3-dihydrofuro[2,3-b]pyridin-3-yl N-[(2-chloro-4-cyanophenyl)methyl]carbamate
CID 118588868
2-(4-chlorophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239312
2,3-dihydrofuro[2,3-b]pyridin-3-yl hydrogen carbonate
CID 118588931
1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide
CID 71495726
1-[(4-chlorophenyl)methyl]-3-(2-chloro-3-pyridinyl)urea
CID 47400753
N-[(4-chlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663787
1-[(4-chlorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108899241
[(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate
CID 8896967
2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
CID 71239541
N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 110851460
N-[(4-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166129
N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 166834895

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate?
The IUPAC name of 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate (CID 118588885) is 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate.
What is the SMILES notation for 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate?
The canonical SMILES for 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate is O=C(NCc1ccc(Cl)cc1)OC1CCOc2ncccc21.
What is the InChIKey of 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate?
The InChIKey is GNTZWPZTUHKLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-12-5-3-11(4-6-12)10-19-16(20)22-14-7-9-21-15-13(14)2-1-8-18-15/h1-6,8,14H,7,9-10H2,(H,19,20).
What are the key properties of 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate?
3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate has a molecular weight of 318.76 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(4-chlorophenyl)methyl]carbamate is sourced from PubChem (CID 118588885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).