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

C19H16N2O2S — CID 121363800

IUPACN-(2-thiophen-2-ylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C19H16N2O2S/c22-19(21-8-5-15-2-1-9-24-15)13-3-4-17-16-6-7-20-11-14(16)12-23-18(17)10-13/h1-4,6-7,9-11H,5,8,12H2,(H,21,22)
InChIKeyCPZHLIHUTWKSEI-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.67
Rot. Bonds4

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

N-(2-thiophen-2-ylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363800) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363800
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-(2-thiophen-2-ylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C19H16N2O2S/c22-19(21-8-5-15-2-1-9-24-15)13-3-4-17-16-6-7-20-11-14(16)12-23-18(17)10-13/h1-4,6-7,9-11H,5,8,12H2,(H,21,22)
InChIKeyCPZHLIHUTWKSEI-UHFFFAOYSA-N
XLogP3.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363800) is N-(2-thiophen-2-ylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCCc1cccs1)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is CPZHLIHUTWKSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-19(21-8-5-15-2-1-9-24-15)13-3-4-17-16-6-7-20-11-14(16)12-23-18(17)10-13/h1-4,6-7,9-11H,5,8,12H2,(H,21,22).
What are the key properties of N-(2-thiophen-2-ylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-(2-thiophen-2-ylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).