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

C22H21FN4O2 — CID 70979502

IUPACN-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCC=C(c1ccc(NC(=O)c2cncc(F)c2C)nc1)c1ccc(OCC)nc1
InChIInChI=1S/C22H21FN4O2/c1-4-17(16-7-9-21(26-11-16)29-5-2)15-6-8-20(25-10-15)27-22(28)18-12-24-13-19(23)14(18)3/h4,6-13H,5H2,1-3H3,(H,25,27,28)
InChIKeyYZGJVFDELAEZDX-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.42
Rot. Bonds6

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

N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 70979502) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID70979502
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCC=C(c1ccc(NC(=O)c2cncc(F)c2C)nc1)c1ccc(OCC)nc1
InChIInChI=1S/C22H21FN4O2/c1-4-17(16-7-9-21(26-11-16)29-5-2)15-6-8-20(25-10-15)27-22(28)18-12-24-13-19(23)14(18)3/h4,6-13H,5H2,1-3H3,(H,25,27,28)
InChIKeyYZGJVFDELAEZDX-UHFFFAOYSA-N
XLogP4.42
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 70979506
2-[5-[(E)-1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-1-(5-fluoro-4-methyl-3-pyridinyl)ethanone
CID 149284964
5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
CID 70979466
N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 70978582
5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 89184688
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
N-tert-butyl-6-ethoxypyridine-3-carboxamide
CID 47244667
6-[(2-ethoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61319184
N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide
CID 46488346
5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide
CID 70978639
4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide
CID 81233280

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 70979502) is N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is CC=C(c1ccc(NC(=O)c2cncc(F)c2C)nc1)c1ccc(OCC)nc1.
What is the InChIKey of N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is YZGJVFDELAEZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-4-17(16-7-9-21(26-11-16)29-5-2)15-6-8-20(25-10-15)27-22(28)18-12-24-13-19(23)14(18)3/h4,6-13H,5H2,1-3H3,(H,25,27,28).
What are the key properties of N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70979502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).