N'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide

C18H16N4O4 — CID 9332990

IUPACN'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide
SMILESCOc1cc(/C=C/C(=O)NNC(=O)c2ccccn2)ccc1OCC#N
InChIInChI=1S/C18H16N4O4/c1-25-16-12-13(5-7-15(16)26-11-9-19)6-8-17(23)21-22-18(24)14-4-2-3-10-20-14/h2-8,10,12H,11H2,1H3,(H,21,23)(H,22,24)/b8-6+
InChIKeyOHBVXVNVMIOOAT-SOFGYWHQSA-N
MW352.35 g/mol
LogP1.47
Rot. Bonds6

About N'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide

N'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide (PubChem CID 9332990) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is N'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide
PubChem CID9332990
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC NameN'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide
SMILESCOc1cc(/C=C/C(=O)NNC(=O)c2ccccn2)ccc1OCC#N
InChIInChI=1S/C18H16N4O4/c1-25-16-12-13(5-7-15(16)26-11-9-19)6-8-17(23)21-22-18(24)14-4-2-3-10-20-14/h2-8,10,12H,11H2,1H3,(H,21,23)(H,22,24)/b8-6+
InChIKeyOHBVXVNVMIOOAT-SOFGYWHQSA-N
XLogP1.47
TPSA113.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9331127
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N'-[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide
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N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
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CID 77024226
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N'-methyl-N'-phenylprop-2-enehydrazide
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(E)-N-(2-bromophenyl)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enamide
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3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-naphthalen-2-ylprop-2-enamide
CID 4851858
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-phenoxyphenyl)prop-2-enamide
CID 6213157
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2,3-dichlorophenyl)prop-2-enamide
CID 26694298
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2-propan-2-ylphenyl)prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide (CID 9332990) is N'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide is COc1cc(/C=C/C(=O)NNC(=O)c2ccccn2)ccc1OCC#N.
What is the InChIKey of N'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide?
The InChIKey is OHBVXVNVMIOOAT-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-25-16-12-13(5-7-15(16)26-11-9-19)6-8-17(23)21-22-18(24)14-4-2-3-10-20-14/h2-8,10,12H,11H2,1H3,(H,21,23)(H,22,24)/b8-6+.
What are the key properties of N'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide?
N'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide has a molecular weight of 352.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 9332990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).