4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide

C18H19N3O3S2 — CID 9078340

IUPAC4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
SMILESO=C(Cn1ccccc1=O)NNC(=O)c1ccc(C2SCCCS2)cc1
InChIInChI=1S/C18H19N3O3S2/c22-15(12-21-9-2-1-4-16(21)23)19-20-17(24)13-5-7-14(8-6-13)18-25-10-3-11-26-18/h1-2,4-9,18H,3,10-12H2,(H,19,22)(H,20,24)
InChIKeyWWUBEGZQRPKXDP-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.18
Rot. Bonds4

About 4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide

4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide (PubChem CID 9078340) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
PubChem CID9078340
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
SMILESO=C(Cn1ccccc1=O)NNC(=O)c1ccc(C2SCCCS2)cc1
InChIInChI=1S/C18H19N3O3S2/c22-15(12-21-9-2-1-4-16(21)23)19-20-17(24)13-5-7-14(8-6-13)18-25-10-3-11-26-18/h1-2,4-9,18H,3,10-12H2,(H,19,22)(H,20,24)
InChIKeyWWUBEGZQRPKXDP-UHFFFAOYSA-N
XLogP2.18
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 51176255
N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide
CID 9077512
4-ethyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 78791798
N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 9077663
N'-[4-(1,3-dithian-2-yl)benzoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46657592
N-[4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]phenyl]furan-2-carboxamide
CID 9078264
5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide
CID 9077503
N'-[2-(2-oxo-1-pyridinyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 46524104
N'-[4-(1,3-dithian-2-yl)benzoyl]-2,4-dimethylbenzohydrazide
CID 9276788
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 9078380
[4-[4-(1,3-dithian-2-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 32758997
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
CID 21174904

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide?
The IUPAC name of 4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide (CID 9078340) is 4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide?
The canonical SMILES for 4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide is O=C(Cn1ccccc1=O)NNC(=O)c1ccc(C2SCCCS2)cc1.
What is the InChIKey of 4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide?
The InChIKey is WWUBEGZQRPKXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c22-15(12-21-9-2-1-4-16(21)23)19-20-17(24)13-5-7-14(8-6-13)18-25-10-3-11-26-18/h1-2,4-9,18H,3,10-12H2,(H,19,22)(H,20,24).
What are the key properties of 4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide?
4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide has a molecular weight of 389.50 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide is sourced from PubChem (CID 9078340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).