N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide

C18H14FN3O3S — CID 91937339

IUPACN-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1ccc(S(=O)Cc2ccccc2O)nc1
InChIInChI=1S/C18H14FN3O3S/c19-14-6-7-16(20-10-14)22-18(24)12-5-8-17(21-9-12)26(25)11-13-3-1-2-4-15(13)23/h1-10,23H,11H2,(H,20,22,24)
InChIKeyFJTQRQBKDUZJSQ-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.88
Rot. Bonds5

About N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide

N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide (PubChem CID 91937339) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide
PubChem CID91937339
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1ccc(S(=O)Cc2ccccc2O)nc1
InChIInChI=1S/C18H14FN3O3S/c19-14-6-7-16(20-10-14)22-18(24)12-5-8-17(21-9-12)26(25)11-13-3-1-2-4-15(13)23/h1-10,23H,11H2,(H,20,22,24)
InChIKeyFJTQRQBKDUZJSQ-UHFFFAOYSA-N
XLogP2.88
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide (CID 91937339) is N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide is O=C(Nc1ccc(F)cn1)c1ccc(S(=O)Cc2ccccc2O)nc1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide?
The InChIKey is FJTQRQBKDUZJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c19-14-6-7-16(20-10-14)22-18(24)12-5-8-17(21-9-12)26(25)11-13-3-1-2-4-15(13)23/h1-10,23H,11H2,(H,20,22,24).
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide?
N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide is sourced from PubChem (CID 91937339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).