N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C16H16N2O2S — CID 95976311

IUPACN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCSc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C16H16N2O2S/c1-10-6-7-12(15(19)17-10)16(20)18-13-8-9-21-14-5-3-2-4-11(13)14/h2-7,13H,8-9H2,1H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyWYCITTJQRAJKKU-ZDUSSCGKSA-N
MW300.38 g/mol
LogP2.65
Rot. Bonds2

About N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95976311) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95976311
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCSc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C16H16N2O2S/c1-10-6-7-12(15(19)17-10)16(20)18-13-8-9-21-14-5-3-2-4-11(13)14/h2-7,13H,8-9H2,1H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyWYCITTJQRAJKKU-ZDUSSCGKSA-N
XLogP2.65
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976368
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976369
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide
CID 8893170
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 103336899
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide
CID 51173241
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)-5-methylbenzamide
CID 80958800
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfonylbenzamide
CID 8894216
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 103816808
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide
CID 47106126
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27856338
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methylbenzamide
CID 43697769
5-acetamido-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiophene-2-carboxamide
CID 41415902

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 95976311) is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)N[C@H]2CCSc3ccccc32)c(=O)[nH]1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WYCITTJQRAJKKU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-6-7-12(15(19)17-10)16(20)18-13-8-9-21-14-5-3-2-4-11(13)14/h2-7,13H,8-9H2,1H3,(H,17,19)(H,18,20)/t13-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95976311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).