4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid

C16H15N3O3 — CID 4141528

IUPAC4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid
SMILESO=C(O)CC=C(NNC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C16H15N3O3/c20-15(21)7-6-14(12-4-2-1-3-5-12)18-19-16(22)13-8-10-17-11-9-13/h1-6,8-11,18H,7H2,(H,19,22)(H,20,21)
InChIKeyKONUSUGMHKRCIZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.83
Rot. Bonds6

About 4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid

4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid (PubChem CID 4141528) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid.

Molecular Properties

Compound Name4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid
PubChem CID4141528
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid
SMILESO=C(O)CC=C(NNC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C16H15N3O3/c20-15(21)7-6-14(12-4-2-1-3-5-12)18-19-16(22)13-8-10-17-11-9-13/h1-6,8-11,18H,7H2,(H,19,22)(H,20,21)
InChIKeyKONUSUGMHKRCIZ-UHFFFAOYSA-N
XLogP1.83
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-phenylbuta-1,3-dien-2-yl)pyridine-4-carbohydrazide
CID 7000114
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689
N'-(2-naphthalen-1-ylacetyl)pyridine-4-carbohydrazide
CID 4807892
N'-(2,4-dioxo-4-phenylbutanoyl)benzohydrazide
CID 4049162
N'-(3-iodobenzoyl)pyridine-4-carbohydrazide
CID 3280219
N'-(2-fluorobenzoyl)pyridine-4-carbohydrazide
CID 959956
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
1-[(1S)-1-phenylethyl]-3-(pyridine-4-carbonylamino)thiourea
CID 7299485
2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
CID 81317965
3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide
CID 2177317
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid?
The IUPAC name of 4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid (CID 4141528) is 4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid.
What is the SMILES notation for 4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid?
The canonical SMILES for 4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid is O=C(O)CC=C(NNC(=O)c1ccncc1)c1ccccc1.
What is the InChIKey of 4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid?
The InChIKey is KONUSUGMHKRCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15(21)7-6-14(12-4-2-1-3-5-12)18-19-16(22)13-8-10-17-11-9-13/h1-6,8-11,18H,7H2,(H,19,22)(H,20,21).
What are the key properties of 4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid?
4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid has a molecular weight of 297.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinyl]but-3-enoic acid is sourced from PubChem (CID 4141528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).