N-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide

C17H11ClN2O2S — CID 24793718

IUPACN-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C17H11ClN2O2S/c18-16-12(5-3-7-19-16)20-17(21)14-8-10-9-22-13-6-2-1-4-11(13)15(10)23-14/h1-8H,9H2,(H,20,21)
InChIKeyVTVDJABBRNFHDM-UHFFFAOYSA-N
MW342.81 g/mol
LogP4.61
Rot. Bonds2

About N-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide

N-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 24793718) has the molecular formula C17H11ClN2O2S and a molecular weight of 342.81 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID24793718
Molecular FormulaC17H11ClN2O2S
Molecular Weight342.81 g/mol
Exact Mass342.02
IUPAC NameN-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C17H11ClN2O2S/c18-16-12(5-3-7-19-16)20-17(21)14-8-10-9-22-13-6-2-1-4-11(13)15(10)23-14/h1-8H,9H2,(H,20,21)
InChIKeyVTVDJABBRNFHDM-UHFFFAOYSA-N
XLogP4.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 24793718) is N-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide is O=C(Nc1cccnc1Cl)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is VTVDJABBRNFHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2S/c18-16-12(5-3-7-19-16)20-17(21)14-8-10-9-22-13-6-2-1-4-11(13)15(10)23-14/h1-8H,9H2,(H,20,21).
What are the key properties of N-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 342.81 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 24793718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).