N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide

C19H16FN3O3S — CID 11749469

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide
SMILESCOc1cc(Sc2ccccn2)nc(C(=O)NCc2ccc(F)cc2)c1O
InChIInChI=1S/C19H16FN3O3S/c1-26-14-10-16(27-15-4-2-3-9-21-15)23-17(18(14)24)19(25)22-11-12-5-7-13(20)8-6-12/h2-10,24H,11H2,1H3,(H,22,25)
InChIKeyJPONXGUHXGYGNZ-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.41
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide (PubChem CID 11749469) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide
PubChem CID11749469
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide
SMILESCOc1cc(Sc2ccccn2)nc(C(=O)NCc2ccc(F)cc2)c1O
InChIInChI=1S/C19H16FN3O3S/c1-26-14-10-16(27-15-4-2-3-9-21-15)23-17(18(14)24)19(25)22-11-12-5-7-13(20)8-6-12/h2-10,24H,11H2,1H3,(H,22,25)
InChIKeyJPONXGUHXGYGNZ-UHFFFAOYSA-N
XLogP3.41
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide (CID 11749469) is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide is COc1cc(Sc2ccccn2)nc(C(=O)NCc2ccc(F)cc2)c1O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide?
The InChIKey is JPONXGUHXGYGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-26-14-10-16(27-15-4-2-3-9-21-15)23-17(18(14)24)19(25)22-11-12-5-7-13(20)8-6-12/h2-10,24H,11H2,1H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-methoxy-6-pyridin-2-ylsulfanylpyridine-2-carboxamide is sourced from PubChem (CID 11749469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).