N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide

C17H16N4O3 — CID 46556732

IUPACN-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide
SMILESCNC(=O)c1ccc(/C=C/C(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H16N4O3/c1-18-16(23)13-8-5-12(6-9-13)7-10-15(22)20-21-17(24)14-4-2-3-11-19-14/h2-11H,1H3,(H,18,23)(H,20,22)(H,21,24)/b10-7+
InChIKeyAMLASDPFZVMKFA-JXMROGBWSA-N
MW324.34 g/mol
LogP0.92
Rot. Bonds4

About N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide

N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide (PubChem CID 46556732) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide
PubChem CID46556732
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide
SMILESCNC(=O)c1ccc(/C=C/C(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H16N4O3/c1-18-16(23)13-8-5-12(6-9-13)7-10-15(22)20-21-17(24)14-4-2-3-11-19-14/h2-11H,1H3,(H,18,23)(H,20,22)(H,21,24)/b10-7+
InChIKeyAMLASDPFZVMKFA-JXMROGBWSA-N
XLogP0.92
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9332350
4-[(E)-3-[2-(2-chlorobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061962
N'-[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9033515
N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide
CID 35076236
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9331127
4-[(E,4R)-4-cyano-3-oxo-4-pyridin-2-ylbut-1-enyl]-N-methylbenzamide
CID 94217607
N'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide
CID 9332990
N'-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 26533748
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867
4-tert-butyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 923514
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide?
The IUPAC name of N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide (CID 46556732) is N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide.
What is the SMILES notation for N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide?
The canonical SMILES for N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide is CNC(=O)c1ccc(/C=C/C(=O)NNC(=O)c2ccccn2)cc1.
What is the InChIKey of N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide?
The InChIKey is AMLASDPFZVMKFA-JXMROGBWSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-18-16(23)13-8-5-12(6-9-13)7-10-15(22)20-21-17(24)14-4-2-3-11-19-14/h2-11H,1H3,(H,18,23)(H,20,22)(H,21,24)/b10-7+.
What are the key properties of N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide?
N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide has a molecular weight of 324.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide is sourced from PubChem (CID 46556732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).