N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide

C17H12N2O2S — CID 20877944

IUPACN-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C17H12N2O2S/c20-17(19-12-4-3-7-18-9-12)15-8-11-10-21-14-6-2-1-5-13(14)16(11)22-15/h1-9H,10H2,(H,19,20)
InChIKeyZOCRZDPQFKQMKM-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.95
Rot. Bonds2

About N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide

N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877944) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877944
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC NameN-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C17H12N2O2S/c20-17(19-12-4-3-7-18-9-12)15-8-11-10-21-14-6-2-1-5-13(14)16(11)22-15/h1-9H,10H2,(H,19,20)
InChIKeyZOCRZDPQFKQMKM-UHFFFAOYSA-N
XLogP3.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877944) is N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide is O=C(Nc1cccnc1)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is ZOCRZDPQFKQMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c20-17(19-12-4-3-7-18-9-12)15-8-11-10-21-14-6-2-1-5-13(14)16(11)22-15/h1-9H,10H2,(H,19,20).
What are the key properties of N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide?
N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).