N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide

C17H19N3OS — CID 39017514

IUPACN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)N[C@H]1CCSc2ccccc21
InChIInChI=1S/C17H19N3OS/c1-20(2)16-13(7-5-10-18-16)17(21)19-14-9-11-22-15-8-4-3-6-12(14)15/h3-8,10,14H,9,11H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyBSHSNNOLUKFOFM-AWEZNQCLSA-N
MW313.43 g/mol
LogP3.11
Rot. Bonds3

About N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide (PubChem CID 39017514) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide
PubChem CID39017514
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)N[C@H]1CCSc2ccccc21
InChIInChI=1S/C17H19N3OS/c1-20(2)16-13(7-5-10-18-16)17(21)19-14-9-11-22-15-8-4-3-6-12(14)15/h3-8,10,14H,9,11H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyBSHSNNOLUKFOFM-AWEZNQCLSA-N
XLogP3.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 94156468
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide
CID 51173241
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfonylbenzamide
CID 8894216
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide
CID 8893170
2-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)pyridine-3-carboxamide
CID 110475174
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide
CID 61292904
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide
CID 47106126
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 103336899
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)-5-methylbenzamide
CID 80958800
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976311
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methoxy-3-pyridinyl)urea
CID 51116670
2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide
CID 60678283

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide (CID 39017514) is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide is CN(C)c1ncccc1C(=O)N[C@H]1CCSc2ccccc21.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is BSHSNNOLUKFOFM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-20(2)16-13(7-5-10-18-16)17(21)19-14-9-11-22-15-8-4-3-6-12(14)15/h3-8,10,14H,9,11H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide?
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 39017514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).