5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide

C24H19FN4OS — CID 70981908

IUPAC5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC/C=C(/c1ccc(-c2nccs2)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C24H19FN4OS/c1-3-19(16-4-6-17(7-5-16)24-27-10-11-31-24)18-8-9-22(28-12-18)29-23(30)20-13-26-14-21(25)15(20)2/h3-14H,1-2H3,(H,28,29,30)/b19-3-
InChIKeyZVSSQYNGHYURNS-OQOIWIOPSA-N
MW430.51 g/mol
LogP5.75
Rot. Bonds5

About 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide

5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 70981908) has the molecular formula C24H19FN4OS and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID70981908
Molecular FormulaC24H19FN4OS
Molecular Weight430.51 g/mol
Exact Mass430.13
IUPAC Name5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC/C=C(/c1ccc(-c2nccs2)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C24H19FN4OS/c1-3-19(16-4-6-17(7-5-16)24-27-10-11-31-24)18-8-9-22(28-12-18)29-23(30)20-13-26-14-21(25)15(20)2/h3-14H,1-2H3,(H,28,29,30)/b19-3-
InChIKeyZVSSQYNGHYURNS-OQOIWIOPSA-N
XLogP5.75
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide (CID 70981908) is 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide is C/C=C(/c1ccc(-c2nccs2)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1.
What is the InChIKey of 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is ZVSSQYNGHYURNS-OQOIWIOPSA-N. The full InChI is InChI=1S/C24H19FN4OS/c1-3-19(16-4-6-17(7-5-16)24-27-10-11-31-24)18-8-9-22(28-12-18)29-23(30)20-13-26-14-21(25)15(20)2/h3-14H,1-2H3,(H,28,29,30)/b19-3-.
What are the key properties of 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1,3-thiazol-2-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 70981908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).