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

C18H14N2O2S — CID 20877802

IUPAC9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc2c1-c1sc(C(=O)Nc3cccnc3)cc1CO2
InChIInChI=1S/C18H14N2O2S/c1-11-4-2-6-14-16(11)17-12(10-22-14)8-15(23-17)18(21)20-13-5-3-7-19-9-13/h2-9H,10H2,1H3,(H,20,21)
InChIKeyGGOIRFYZLYDSEN-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.26
Rot. Bonds2

About 9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide

9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877802) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound Name9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877802
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc2c1-c1sc(C(=O)Nc3cccnc3)cc1CO2
InChIInChI=1S/C18H14N2O2S/c1-11-4-2-6-14-16(11)17-12(10-22-14)8-15(23-17)18(21)20-13-5-3-7-19-9-13/h2-9H,10H2,1H3,(H,20,21)
InChIKeyGGOIRFYZLYDSEN-UHFFFAOYSA-N
XLogP4.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-methyl-N-(3-morpholin-4-ylpropyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877717
N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877826
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877747
N-pyridin-3-yl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 1247581
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877800
N-(3-chlorophenyl)-N-ethyl-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877755
N-(3-acetamido-2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134019153
[4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone
CID 20877714
4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 17396124
9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877782
3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 107112759
N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 71938599

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of 9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877802) is 9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for 9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for 9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide is Cc1cccc2c1-c1sc(C(=O)Nc3cccnc3)cc1CO2.
What is the InChIKey of 9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is GGOIRFYZLYDSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-11-4-2-6-14-16(11)17-12(10-22-14)8-15(23-17)18(21)20-13-5-3-7-19-9-13/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide?
9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).