N-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide

C18H14N2O2S — CID 121363832

IUPACN-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C18H14N2O2S/c21-18(20-10-14-2-1-7-23-14)12-3-4-16-15-5-6-19-9-13(15)11-22-17(16)8-12/h1-9H,10-11H2,(H,20,21)
InChIKeyGIVRMHYIWZKNEU-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.63
Rot. Bonds3

About N-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363832) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363832
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC NameN-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C18H14N2O2S/c21-18(20-10-14-2-1-7-23-14)12-3-4-16-15-5-6-19-9-13(15)11-22-17(16)8-12/h1-9H,10-11H2,(H,20,21)
InChIKeyGIVRMHYIWZKNEU-UHFFFAOYSA-N
XLogP3.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363832) is N-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1cccs1)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is GIVRMHYIWZKNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c21-18(20-10-14-2-1-7-23-14)12-3-4-16-15-5-6-19-9-13(15)11-22-17(16)8-12/h1-9H,10-11H2,(H,20,21).
What are the key properties of N-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).