N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide

C15H13ClN2OS — CID 17479306

IUPACN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCSc2ccc(Cl)cc21)c1ccncc1
InChIInChI=1S/C15H13ClN2OS/c16-11-1-2-14-12(9-11)13(5-8-20-14)18-15(19)10-3-6-17-7-4-10/h1-4,6-7,9,13H,5,8H2,(H,18,19)
InChIKeyGEIAJTVAKQOMFM-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.70
Rot. Bonds2

About N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide (PubChem CID 17479306) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
PubChem CID17479306
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCSc2ccc(Cl)cc21)c1ccncc1
InChIInChI=1S/C15H13ClN2OS/c16-11-1-2-14-12(9-11)13(5-8-20-14)18-15(19)10-3-6-17-7-4-10/h1-4,6-7,9,13H,5,8H2,(H,18,19)
InChIKeyGEIAJTVAKQOMFM-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 60697768
5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide
CID 25400960
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 46649804
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide
CID 17484910
2,3-dichloro-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 46656545
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
CID 62492313
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31692872
5-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)furan-2-carboxamide
CID 60697597
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46656428
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide
CID 18120455
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 43709277
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)adamantane-1-carboxamide
CID 18120449

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide (CID 17479306) is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide is O=C(NC1CCSc2ccc(Cl)cc21)c1ccncc1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide?
The InChIKey is GEIAJTVAKQOMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-11-1-2-14-12(9-11)13(5-8-20-14)18-15(19)10-3-6-17-7-4-10/h1-4,6-7,9,13H,5,8H2,(H,18,19).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide?
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide has a molecular weight of 304.80 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 17479306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).