N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide

C15H13FN2OS — CID 61292904

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide
SMILESO=C(NC1CCSc2ccccc21)c1ccnc(F)c1
InChIInChI=1S/C15H13FN2OS/c16-14-9-10(5-7-17-14)15(19)18-12-6-8-20-13-4-2-1-3-11(12)13/h1-5,7,9,12H,6,8H2,(H,18,19)
InChIKeySURGAFUUHIKQDR-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.19
Rot. Bonds2

About N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide (PubChem CID 61292904) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide
PubChem CID61292904
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide
SMILESO=C(NC1CCSc2ccccc21)c1ccnc(F)c1
InChIInChI=1S/C15H13FN2OS/c16-14-9-10(5-7-17-14)15(19)18-12-6-8-20-13-4-2-1-3-11(12)13/h1-5,7,9,12H,6,8H2,(H,18,19)
InChIKeySURGAFUUHIKQDR-UHFFFAOYSA-N
XLogP3.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide
CID 7536993
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3H-benzimidazole-5-carboxamide
CID 25324948
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methylbenzamide
CID 43697769
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1,3-benzodioxole-5-carboxamide
CID 9118142
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide
CID 41176413
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 39017514
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide
CID 51173241
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide
CID 8893170
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(imidazol-1-ylmethyl)benzamide
CID 122157429
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 24503448
N-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide
CID 90349633
2-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 32694198

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide (CID 61292904) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide is O=C(NC1CCSc2ccccc21)c1ccnc(F)c1.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide?
The InChIKey is SURGAFUUHIKQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c16-14-9-10(5-7-17-14)15(19)18-12-6-8-20-13-4-2-1-3-11(12)13/h1-5,7,9,12H,6,8H2,(H,18,19).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 61292904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).