(Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide

C19H23FN4O3 — CID 162729209

IUPAC(Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide
SMILESCO/N=C(/C)c1cccc(C)c1CO/N=C(\C)c1ncccc1F.NC=O
InChIInChI=1S/C18H20FN3O2.CH3NO/c1-12-7-5-8-15(13(2)21-23-4)16(12)11-24-22-14(3)18-17(19)9-6-10-20-18;2-1-3/h5-10H,11H2,1-4H3;1H,(H2,2,3)/b21-13-,22-14+;
InChIKeyQCXVMQXDFJJYCY-GMRXJVOLSA-N
MW374.42 g/mol
LogP2.94
Rot. Bonds6

About (Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide

(Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide (PubChem CID 162729209) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is (Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide.

Molecular Properties

Compound Name(Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide
PubChem CID162729209
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name(Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide
SMILESCO/N=C(/C)c1cccc(C)c1CO/N=C(\C)c1ncccc1F.NC=O
InChIInChI=1S/C18H20FN3O2.CH3NO/c1-12-7-5-8-15(13(2)21-23-4)16(12)11-24-22-14(3)18-17(19)9-6-10-20-18;2-1-3/h5-10H,11H2,1-4H3;1H,(H2,2,3)/b21-13-,22-14+;
InChIKeyQCXVMQXDFJJYCY-GMRXJVOLSA-N
XLogP2.94
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetic acid
CID 175357372
methyl (2E)-2-[2-[[(E)-1-isoquinolin-1-ylethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 162729179
methyl (2E)-2-[2-[[(E)-1-(2-fluoro-6-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157024116
(E)-1-(3-chlorophenyl)-N-[[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-6-methylphenyl]methoxy]ethanimine;methyl formate
CID 157024441
(E)-1-[2-fluoro-4-(trifluoromethoxy)phenyl]-N-[[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-6-methylphenyl]methoxy]ethanimine
CID 157024503
methyl (2E)-2-methoxyimino-2-[3-methyl-2-[[(E)-1-pyridin-4-ylethylideneamino]oxymethyl]phenyl]acetate
CID 162729279
(2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-1-(methylamino)ethanol
CID 166813518
methyl (2E)-2-[2-[[(E)-1-(2,3-difluoro-5-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 166815558
methyl (E)-3-methoxy-2-[3-methyl-2-[[(E)-1-[2-(trifluoromethyl)-3-pyridinyl]ethylideneamino]oxymethyl]phenyl]prop-2-enoate
CID 162729220
methyl (2E)-2-[2-[[(E)-1-(3-bromo-2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157023853
methyl (2E)-2-[2-[[(E)-1-(2-ethoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157024244
methyl (2E)-2-[2-[[(E)-1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157024413

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide?
The IUPAC name of (Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide (CID 162729209) is (Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide.
What is the SMILES notation for (Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide?
The canonical SMILES for (Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide is CO/N=C(/C)c1cccc(C)c1CO/N=C(\C)c1ncccc1F.NC=O.
What is the InChIKey of (Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide?
The InChIKey is QCXVMQXDFJJYCY-GMRXJVOLSA-N. The full InChI is InChI=1S/C18H20FN3O2.CH3NO/c1-12-7-5-8-15(13(2)21-23-4)16(12)11-24-22-14(3)18-17(19)9-6-10-20-18;2-1-3/h5-10H,11H2,1-4H3;1H,(H2,2,3)/b21-13-,22-14+;.
What are the key properties of (Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide?
(Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide has a molecular weight of 374.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-[[(E)-1-(3-fluoro-2-pyridinyl)ethylideneamino]oxymethyl]-3-methylphenyl]-N-methoxyethanimine;formamide is sourced from PubChem (CID 162729209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).