4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide

C18H14ClN3O3S — CID 156906263

IUPAC4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc2s1
InChIInChI=1S/C18H14ClN3O3S/c19-9-1-2-14-11(5-9)10(3-4-25-14)18(24)22-13-7-21-8-16-12(13)6-15(26-16)17(20)23/h1-2,5-8,10H,3-4H2,(H2,20,23)(H,22,24)
InChIKeyWSVBQTGCXSVXQG-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.55
Rot. Bonds3

About 4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide

4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 156906263) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is 4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID156906263
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC Name4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc2s1
InChIInChI=1S/C18H14ClN3O3S/c19-9-1-2-14-11(5-9)10(3-4-25-14)18(24)22-13-7-21-8-16-12(13)6-15(26-16)17(20)23/h1-2,5-8,10H,3-4H2,(H2,20,23)(H,22,24)
InChIKeyWSVBQTGCXSVXQG-UHFFFAOYSA-N
XLogP3.55
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide (CID 156906263) is 4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc2s1.
What is the InChIKey of 4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is WSVBQTGCXSVXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c19-9-1-2-14-11(5-9)10(3-4-25-14)18(24)22-13-7-21-8-16-12(13)6-15(26-16)17(20)23/h1-2,5-8,10H,3-4H2,(H2,20,23)(H,22,24).
What are the key properties of 4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide?
4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 387.85 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3,4-dihydro-2H-chromene-4-carbonyl)amino]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 156906263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).