N-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide

C22H16N2O2S — CID 121363539

IUPACN-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1csc2ccccc12)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C22H16N2O2S/c25-22(24-11-16-13-27-21-4-2-1-3-18(16)21)14-5-6-19-17-7-8-23-10-15(17)12-26-20(19)9-14/h1-10,13H,11-12H2,(H,24,25)
InChIKeyQVRPNRCKKDJVFL-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.79
Rot. Bonds3

About N-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363539) has the molecular formula C22H16N2O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363539
Molecular FormulaC22H16N2O2S
Molecular Weight372.45 g/mol
Exact Mass372.09
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1csc2ccccc12)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C22H16N2O2S/c25-22(24-11-16-13-27-21-4-2-1-3-18(16)21)14-5-6-19-17-7-8-23-10-15(17)12-26-20(19)9-14/h1-10,13H,11-12H2,(H,24,25)
InChIKeyQVRPNRCKKDJVFL-UHFFFAOYSA-N
XLogP4.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363539) is N-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1csc2ccccc12)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is QVRPNRCKKDJVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2S/c25-22(24-11-16-13-27-21-4-2-1-3-18(16)21)14-5-6-19-17-7-8-23-10-15(17)12-26-20(19)9-14/h1-10,13H,11-12H2,(H,24,25).
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).