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

C22H24FN5O2 — CID 130319195

IUPACN-[5-[(E)-C-ethyl-N-[(2E,4Z)-2-methyl-5-(methylideneamino)penta-2,4-dienoxy]carbonimidoyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESC=N/C=C\C=C(/C)CO/N=C(\CC)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C22H24FN5O2/c1-5-20(28-30-14-15(2)7-6-10-24-4)17-8-9-21(26-11-17)27-22(29)18-12-25-13-19(23)16(18)3/h6-13H,4-5,14H2,1-3H3,(H,26,27,29)/b10-6-,15-7+,28-20+
InChIKeyLBWSLAMVGXFTCR-NRJHAJPVSA-N
MW409.47 g/mol
LogP4.47
Rot. Bonds9

About 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

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 (PubChem CID 130319195) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[5-[(E)-C-ethyl-N-[(2E,4Z)-2-methyl-5-(methylideneamino)penta-2,4-dienoxy]carbonimidoyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID130319195
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC NameN-[5-[(E)-C-ethyl-N-[(2E,4Z)-2-methyl-5-(methylideneamino)penta-2,4-dienoxy]carbonimidoyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESC=N/C=C\C=C(/C)CO/N=C(\CC)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C22H24FN5O2/c1-5-20(28-30-14-15(2)7-6-10-24-4)17-8-9-21(26-11-17)27-22(29)18-12-25-13-19(23)16(18)3/h6-13H,4-5,14H2,1-3H3,(H,26,27,29)/b10-6-,15-7+,28-20+
InChIKeyLBWSLAMVGXFTCR-NRJHAJPVSA-N
XLogP4.47
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(Z)-N-[(3,5-difluoro-2-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 89156183
N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 70979502
5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 89184688
5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 70979506
N-[5-[N-[(5,6-difluoro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 123575522
N-[5-[(Z)-C-ethyl-N-pyrazin-2-yloxycarbonimidoyl]-2-pyridinyl]-2,6-difluorobenzamide
CID 89156315
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
N-[5-(C-ethyl-N-pyridazin-3-yloxycarbonimidoyl)-2-pyridinyl]-2,6-difluorobenzamide
CID 123670569
N-[5-[N-[(4-chloro-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-2-methylpyridine-3-carboxamide
CID 154240984
N-[5-[(Z)-C-ethyl-N-[(6-isocyano-3-pyridinyl)oxy]carbonimidoyl]-2-pyridinyl]-2,6-difluorobenzamide
CID 123593080
N-[5-[N-[(2-cyano-3-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-2,6-difluorobenzamide
CID 123314243

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=N/C=C\C=C(/C)CO/N=C(\CC)c1ccc(NC(=O)c2cncc(F)c2C)nc1.
What is the InChIKey of 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?
The InChIKey is LBWSLAMVGXFTCR-NRJHAJPVSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-5-20(28-30-14-15(2)7-6-10-24-4)17-8-9-21(26-11-17)27-22(29)18-12-25-13-19(23)16(18)3/h6-13H,4-5,14H2,1-3H3,(H,26,27,29)/b10-6-,15-7+,28-20+.
What are the key properties of 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?
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 has a molecular weight of 409.47 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130319195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).