5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

C21H18FN3O2 — CID 71010115

IUPAC5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESC/C=C(/c1ccc(O)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C21H18FN3O2/c1-3-17(14-4-7-16(26)8-5-14)15-6-9-20(24-10-15)25-21(27)18-11-23-12-19(22)13(18)2/h3-12,26H,1-2H3,(H,24,25,27)/b17-3-
InChIKeyYQWPEMWGUXCJLQ-YPEHOIGNSA-N
MW363.39 g/mol
LogP4.33
Rot. Bonds4

About 5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 71010115) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID71010115
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESC/C=C(/c1ccc(O)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C21H18FN3O2/c1-3-17(14-4-7-16(26)8-5-14)15-6-9-20(24-10-15)25-21(27)18-11-23-12-19(22)13(18)2/h3-12,26H,1-2H3,(H,24,25,27)/b17-3-
InChIKeyYQWPEMWGUXCJLQ-YPEHOIGNSA-N
XLogP4.33
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 71010115) is 5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is C/C=C(/c1ccc(O)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1.
What is the InChIKey of 5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is YQWPEMWGUXCJLQ-YPEHOIGNSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-3-17(14-4-7-16(26)8-5-14)15-6-9-20(24-10-15)25-21(27)18-11-23-12-19(22)13(18)2/h3-12,26H,1-2H3,(H,24,25,27)/b17-3-.
What are the key properties of 5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).