N-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide

C17H22FN3O3 — CID 130381743

IUPACN-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide
SMILESC=N/C(=C\C=C(/C)F)NC(=O)c1cc(O[C@@H](C)COC)cc(C)n1
InChIInChI=1S/C17H22FN3O3/c1-11(18)6-7-16(19-4)21-17(22)15-9-14(8-12(2)20-15)24-13(3)10-23-5/h6-9,13H,4,10H2,1-3,5H3,(H,21,22)/b11-6+,16-7+/t13-/m0/s1
InChIKeyUNTPYZCUXLIWRN-CHHSGRGESA-N
MW335.38 g/mol
LogP2.95
Rot. Bonds8

About N-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide

N-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide (PubChem CID 130381743) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide
PubChem CID130381743
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC NameN-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide
SMILESC=N/C(=C\C=C(/C)F)NC(=O)c1cc(O[C@@H](C)COC)cc(C)n1
InChIInChI=1S/C17H22FN3O3/c1-11(18)6-7-16(19-4)21-17(22)15-9-14(8-12(2)20-15)24-13(3)10-23-5/h6-9,13H,4,10H2,1-3,5H3,(H,21,22)/b11-6+,16-7+/t13-/m0/s1
InChIKeyUNTPYZCUXLIWRN-CHHSGRGESA-N
XLogP2.95
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 158603269
N-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide
CID 118613122
3-(1-methoxypropan-2-yloxy)-N-methyl-5-nitrosobenzamide
CID 143045887
2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 71496472
3-(4-acetylphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxy-N-[(Z)-3-(methylamino)prop-2-enimidoyl]benzamide
CID 143152044
N-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 59514361
potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate
CID 77158836
potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid
CID 173004850
3-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyrazole-1-carboxylic acid
CID 66921093
N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109323750
methyl 3-(1-methoxypropan-2-yloxy)-5-(3-methylsulfonylphenoxy)benzoate
CID 122417383
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoate
CID 58265939

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide (CID 130381743) is N-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide is C=N/C(=C\C=C(/C)F)NC(=O)c1cc(O[C@@H](C)COC)cc(C)n1.
What is the InChIKey of N-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide?
The InChIKey is UNTPYZCUXLIWRN-CHHSGRGESA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-11(18)6-7-16(19-4)21-17(22)15-9-14(8-12(2)20-15)24-13(3)10-23-5/h6-9,13H,4,10H2,1-3,5H3,(H,21,22)/b11-6+,16-7+/t13-/m0/s1.
What are the key properties of N-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide?
N-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 130381743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).