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

C18H14N2O2S — CID 121363866

IUPACN-(thiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1ccsc1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C18H14N2O2S/c21-18(20-8-12-4-6-23-11-12)13-1-2-16-15-3-5-19-9-14(15)10-22-17(16)7-13/h1-7,9,11H,8,10H2,(H,20,21)
InChIKeyFBJFTNYVPKNXBM-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.63
Rot. Bonds3

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

N-(thiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363866) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363866
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC NameN-(thiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1ccsc1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C18H14N2O2S/c21-18(20-8-12-4-6-23-11-12)13-1-2-16-15-3-5-19-9-14(15)10-22-17(16)7-13/h1-7,9,11H,8,10H2,(H,20,21)
InChIKeyFBJFTNYVPKNXBM-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

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-(thiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363866) is N-(thiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-(thiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1ccsc1)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-(thiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is FBJFTNYVPKNXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c21-18(20-8-12-4-6-23-11-12)13-1-2-16-15-3-5-19-9-14(15)10-22-17(16)7-13/h1-7,9,11H,8,10H2,(H,20,21).
What are the key properties of N-(thiophen-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-(thiophen-3-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-3-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).