N-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide

C16H14N2O2S — CID 22520938

IUPACN-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide
SMILESCc1cccc(NC(=O)c2cccc3c2SCCC3=O)n1
InChIInChI=1S/C16H14N2O2S/c1-10-4-2-7-14(17-10)18-16(20)12-6-3-5-11-13(19)8-9-21-15(11)12/h2-7H,8-9H2,1H3,(H,17,18,20)
InChIKeyVTVTYPCWYVKQQK-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.32
Rot. Bonds2

About N-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide

N-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide (PubChem CID 22520938) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide
PubChem CID22520938
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide
SMILESCc1cccc(NC(=O)c2cccc3c2SCCC3=O)n1
InChIInChI=1S/C16H14N2O2S/c1-10-4-2-7-14(17-10)18-16(20)12-6-3-5-11-13(19)8-9-21-15(11)12/h2-7H,8-9H2,1H3,(H,17,18,20)
InChIKeyVTVTYPCWYVKQQK-UHFFFAOYSA-N
XLogP3.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-(6-methyl-2-pyridinyl)benzamide
CID 3354177
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CID 4753622
N-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557960
N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 17233954
N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62171746
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide
CID 169359188
5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947279
2-fluoro-N-(6-methyl-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 79883704
2-methyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 47445423
N-(6-methyl-2-pyridinyl)-2,3-dihydrofuran-4-carboxamide
CID 137320706
propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
CID 90303117

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide (CID 22520938) is N-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide is Cc1cccc(NC(=O)c2cccc3c2SCCC3=O)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide?
The InChIKey is VTVTYPCWYVKQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10-4-2-7-14(17-10)18-16(20)12-6-3-5-11-13(19)8-9-21-15(11)12/h2-7H,8-9H2,1H3,(H,17,18,20).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide?
N-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide is sourced from PubChem (CID 22520938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).