N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide

C16H15F2N3O3 — CID 9015693

IUPACN-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide
SMILESCCOc1cccc(/C=N\NC(=O)c2ccccn2)c1OC(F)F
InChIInChI=1S/C16H15F2N3O3/c1-2-23-13-8-5-6-11(14(13)24-16(17)18)10-20-21-15(22)12-7-3-4-9-19-12/h3-10,16H,2H2,1H3,(H,21,22)/b20-10-
InChIKeyCFXZJSHTWRHMNS-JMIUGGIZSA-N
MW335.31 g/mol
LogP2.85
Rot. Bonds7

About N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide

N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide (PubChem CID 9015693) has the molecular formula C16H15F2N3O3 and a molecular weight of 335.31 g/mol. Its IUPAC name is N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide
PubChem CID9015693
Molecular FormulaC16H15F2N3O3
Molecular Weight335.31 g/mol
Exact Mass335.11
IUPAC NameN-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide
SMILESCCOc1cccc(/C=N\NC(=O)c2ccccn2)c1OC(F)F
InChIInChI=1S/C16H15F2N3O3/c1-2-23-13-8-5-6-11(14(13)24-16(17)18)10-20-21-15(22)12-7-3-4-9-19-12/h3-10,16H,2H2,1H3,(H,21,22)/b20-10-
InChIKeyCFXZJSHTWRHMNS-JMIUGGIZSA-N
XLogP2.85
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Verazide
CID 9574235
N'-(3-Ethoxy-2-hydroxybenzylidene)nicotinohydrazide
CID 135533166
2,5-dimethoxy-N'-(2-pyridinylmethylene)benzohydrazide
CID 5334861
Acetic acid 2-methoxy-4-[(pyridine-4-carbonyl)-hydrazonomethyl]-phenyl ester
CID 6871707
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
CID 6880157
N'-[2-(3,5-dimethylphenoxy)acetyl]pyridine-2-carbohydrazide
CID 16330911
(E)-N'-(2-hydroxy-3-methoxybenzylidene)isonicotinohydrazide
CID 135439994
Verazidum
CID 162228
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2985341
[5-hydroxy-3-pyridin-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone
CID 3340104
N'-[4-(3-methylphenoxy)butanoyl]pyridine-2-carbohydrazide
CID 4790014
N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide
CID 4790015

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide (CID 9015693) is N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide is CCOc1cccc(/C=N\NC(=O)c2ccccn2)c1OC(F)F.
What is the InChIKey of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide?
The InChIKey is CFXZJSHTWRHMNS-JMIUGGIZSA-N. The full InChI is InChI=1S/C16H15F2N3O3/c1-2-23-13-8-5-6-11(14(13)24-16(17)18)10-20-21-15(22)12-7-3-4-9-19-12/h3-10,16H,2H2,1H3,(H,21,22)/b20-10-.
What are the key properties of N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide?
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide has a molecular weight of 335.31 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 9015693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).