5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide

C15H12BrClN2OS — CID 25400960

IUPAC5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cncc(Br)c1
InChIInChI=1S/C15H12BrClN2OS/c16-10-5-9(7-18-8-10)15(20)19-13-3-4-21-14-2-1-11(17)6-12(13)14/h1-2,5-8,13H,3-4H2,(H,19,20)/t13-/m1/s1
InChIKeyOIZJCHOCUZNCOK-CYBMUJFWSA-N
MW383.70 g/mol
LogP4.46
Rot. Bonds2

About 5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide

5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide (PubChem CID 25400960) has the molecular formula C15H12BrClN2OS and a molecular weight of 383.70 g/mol. Its IUPAC name is 5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide
PubChem CID25400960
Molecular FormulaC15H12BrClN2OS
Molecular Weight383.70 g/mol
Exact Mass381.95
IUPAC Name5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cncc(Br)c1
InChIInChI=1S/C15H12BrClN2OS/c16-10-5-9(7-18-8-10)15(20)19-13-3-4-21-14-2-1-11(17)6-12(13)14/h1-2,5-8,13H,3-4H2,(H,19,20)/t13-/m1/s1
InChIKeyOIZJCHOCUZNCOK-CYBMUJFWSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 54.46
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
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
CID 17479306
5-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)furan-2-carboxamide
CID 60697597
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31692872
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide
CID 17484910
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylimidazole-4-carboxamide
CID 18120455
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-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 46649804
2-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylbutanamide
CID 43699787
N-(4-bromo-2,6-dichlorophenyl)-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
CID 63425801
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46656428

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide (CID 25400960) is 5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide is O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide?
The InChIKey is OIZJCHOCUZNCOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H12BrClN2OS/c16-10-5-9(7-18-8-10)15(20)19-13-3-4-21-14-2-1-11(17)6-12(13)14/h1-2,5-8,13H,3-4H2,(H,19,20)/t13-/m1/s1.
What are the key properties of 5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide?
5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide has a molecular weight of 383.70 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 25400960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).