4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide

C17H14N4O2 — CID 175507037

IUPAC4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide
SMILESNNC(=O)C=C(C(=O)c1c[nH]c2ccccc12)c1cccnc1
InChIInChI=1S/C17H14N4O2/c18-21-16(22)8-13(11-4-3-7-19-9-11)17(23)14-10-20-15-6-2-1-5-12(14)15/h1-10,20H,18H2,(H,21,22)
InChIKeyFVABCSHGMAEAEA-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.82
Rot. Bonds4

About 4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide

4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide (PubChem CID 175507037) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide
PubChem CID175507037
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide
SMILESNNC(=O)C=C(C(=O)c1c[nH]c2ccccc12)c1cccnc1
InChIInChI=1S/C17H14N4O2/c18-21-16(22)8-13(11-4-3-7-19-9-11)17(23)14-10-20-15-6-2-1-5-12(14)15/h1-10,20H,18H2,(H,21,22)
InChIKeyFVABCSHGMAEAEA-UHFFFAOYSA-N
XLogP1.82
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-pyridin-3-yl-1H-indole-3-carboxamide
CID 43399328
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 43001103
(Z)-3-bromo-3-(1H-indol-3-yl)-1-phenylprop-2-en-1-one
CID 101407853
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;pyridine-3-carboxylic acid
CID 18645438
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113084707
(6-methyl-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43341972
1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794
methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
CID 11737569
[3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone
CID 23249662
N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide
CID 5082604
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide?
The IUPAC name of 4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide (CID 175507037) is 4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide.
What is the SMILES notation for 4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide?
The canonical SMILES for 4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide is NNC(=O)C=C(C(=O)c1c[nH]c2ccccc12)c1cccnc1.
What is the InChIKey of 4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide?
The InChIKey is FVABCSHGMAEAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c18-21-16(22)8-13(11-4-3-7-19-9-11)17(23)14-10-20-15-6-2-1-5-12(14)15/h1-10,20H,18H2,(H,21,22).
What are the key properties of 4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide?
4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide has a molecular weight of 306.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-4-oxo-3-pyridin-3-ylbut-2-enehydrazide is sourced from PubChem (CID 175507037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).