5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

C21H19FN4O2 — CID 70979506

IUPAC5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESC/C=C(/c1ccc(NC(=O)c2cncc(F)c2C)nc1)c1ccc(OC)nc1
InChIInChI=1S/C21H19FN4O2/c1-4-16(15-6-8-20(28-3)25-10-15)14-5-7-19(24-9-14)26-21(27)17-11-23-12-18(22)13(17)2/h4-12H,1-3H3,(H,24,26,27)/b16-4-
InChIKeyWEHAJZIBFCCJMI-XRVIQIRUSA-N
MW378.41 g/mol
LogP4.03
Rot. Bonds5

About 5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 70979506) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID70979506
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESC/C=C(/c1ccc(NC(=O)c2cncc(F)c2C)nc1)c1ccc(OC)nc1
InChIInChI=1S/C21H19FN4O2/c1-4-16(15-6-8-20(28-3)25-10-15)14-5-7-19(24-9-14)26-21(27)17-11-23-12-18(22)13(17)2/h4-12H,1-3H3,(H,24,26,27)/b16-4-
InChIKeyWEHAJZIBFCCJMI-XRVIQIRUSA-N
XLogP4.03
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 70979502
5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
CID 70979466
5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 89184688
N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 70978582
2-[5-[(E)-1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-1-(5-fluoro-4-methyl-3-pyridinyl)ethanone
CID 149284964
N-[5-[(Z)-N-[(3,5-difluoro-2-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 89156183
N-[5-[(E)-C-ethyl-N-[(2E,4Z)-2-methyl-5-(methylideneamino)penta-2,4-dienoxy]carbonimidoyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 130319195
6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 84581357
6-methoxy-N-pyridin-2-ylpyridine-3-carboxamide
CID 35035663
6-methoxy-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
CID 134053283
N-(4-bromo-2-fluorophenyl)-6-methoxypyridine-3-carboxamide
CID 134017875
6-[(2-fluoro-4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 102881937

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 70979506) is 5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is C/C=C(/c1ccc(NC(=O)c2cncc(F)c2C)nc1)c1ccc(OC)nc1.
What is the InChIKey of 5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is WEHAJZIBFCCJMI-XRVIQIRUSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-4-16(15-6-8-20(28-3)25-10-15)14-5-7-19(24-9-14)26-21(27)17-11-23-12-18(22)13(17)2/h4-12H,1-3H3,(H,24,26,27)/b16-4-.
What are the key properties of 5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 378.41 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-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70979506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).