5-fluoro-4-methyl-N-[5-[(Z)-1-(4-methylsulfonylphenyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide

C22H20FN3O3S — CID 71010090

IUPAC5-fluoro-4-methyl-N-[5-[(Z)-1-(4-methylsulfonylphenyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC/C=C(/c1ccc(S(C)(=O)=O)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C22H20FN3O3S/c1-4-18(15-5-8-17(9-6-15)30(3,28)29)16-7-10-21(25-11-16)26-22(27)19-12-24-13-20(23)14(19)2/h4-13H,1-3H3,(H,25,26,27)/b18-4-
InChIKeyLEDUYFZXYFDBKL-LMXLVEHLSA-N
MW425.49 g/mol
LogP4.03
Rot. Bonds5

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

5-fluoro-4-methyl-N-[5-[(Z)-1-(4-methylsulfonylphenyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 71010090) has the molecular formula C22H20FN3O3S and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-fluoro-4-methyl-N-[5-[(Z)-1-(4-methylsulfonylphenyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-4-methyl-N-[5-[(Z)-1-(4-methylsulfonylphenyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID71010090
Molecular FormulaC22H20FN3O3S
Molecular Weight425.49 g/mol
Exact Mass425.12
IUPAC Name5-fluoro-4-methyl-N-[5-[(Z)-1-(4-methylsulfonylphenyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC/C=C(/c1ccc(S(C)(=O)=O)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C22H20FN3O3S/c1-4-18(15-5-8-17(9-6-15)30(3,28)29)16-7-10-21(25-11-16)26-22(27)19-12-24-13-20(23)14(19)2/h4-13H,1-3H3,(H,25,26,27)/b18-4-
InChIKeyLEDUYFZXYFDBKL-LMXLVEHLSA-N
XLogP4.03
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.03
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-methylsulfonylphenyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-4-methyl-N-[5-[(Z)-1-(4-methylsulfonylphenyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide (CID 71010090) is 5-fluoro-4-methyl-N-[5-[(Z)-1-(4-methylsulfonylphenyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-4-methyl-N-[5-[(Z)-1-(4-methylsulfonylphenyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-4-methyl-N-[5-[(Z)-1-(4-methylsulfonylphenyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide is C/C=C(/c1ccc(S(C)(=O)=O)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1.
What is the InChIKey of 5-fluoro-4-methyl-N-[5-[(Z)-1-(4-methylsulfonylphenyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is LEDUYFZXYFDBKL-LMXLVEHLSA-N. The full InChI is InChI=1S/C22H20FN3O3S/c1-4-18(15-5-8-17(9-6-15)30(3,28)29)16-7-10-21(25-11-16)26-22(27)19-12-24-13-20(23)14(19)2/h4-13H,1-3H3,(H,25,26,27)/b18-4-.
What are the key properties of 5-fluoro-4-methyl-N-[5-[(Z)-1-(4-methylsulfonylphenyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
5-fluoro-4-methyl-N-[5-[(Z)-1-(4-methylsulfonylphenyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.03, 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-methylsulfonylphenyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 71010090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).