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

C20H23N3O4 — CID 9331127

IUPACN'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
SMILESCCCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccccn2)cc1OC
InChIInChI=1S/C20H23N3O4/c1-3-4-13-27-17-10-8-15(14-18(17)26-2)9-11-19(24)22-23-20(25)16-7-5-6-12-21-16/h5-12,14H,3-4,13H2,1-2H3,(H,22,24)(H,23,25)/b11-9+
InChIKeyYPHXMPJJIXHESK-PKNBQFBNSA-N
MW369.42 g/mol
LogP2.74
Rot. Bonds8

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

N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide (PubChem CID 9331127) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
PubChem CID9331127
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
SMILESCCCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccccn2)cc1OC
InChIInChI=1S/C20H23N3O4/c1-3-4-13-27-17-10-8-15(14-18(17)26-2)9-11-19(24)22-23-20(25)16-7-5-6-12-21-16/h5-12,14H,3-4,13H2,1-2H3,(H,22,24)(H,23,25)/b11-9+
InChIKeyYPHXMPJJIXHESK-PKNBQFBNSA-N
XLogP2.74
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide
CID 9332990
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 9475903
N'-[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9033515
N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9332350
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide
CID 9440084
(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 21322652
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
2-[[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102535095
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 55332420
3-(4-butoxy-3-methoxyphenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 78770033
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide (CID 9331127) is N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide is CCCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccccn2)cc1OC.
What is the InChIKey of N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide?
The InChIKey is YPHXMPJJIXHESK-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-4-13-27-17-10-8-15(14-18(17)26-2)9-11-19(24)22-23-20(25)16-7-5-6-12-21-16/h5-12,14H,3-4,13H2,1-2H3,(H,22,24)(H,23,25)/b11-9+.
What are the key properties of N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide?
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide has a molecular weight of 369.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 9331127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).