1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide

C14H17N3O3S — CID 82516554

IUPAC1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
SMILESCOCCCn1c(-c2cccs2)ccc(C(=O)NN)c1=O
InChIInChI=1S/C14H17N3O3S/c1-20-8-3-7-17-11(12-4-2-9-21-12)6-5-10(14(17)19)13(18)16-15/h2,4-6,9H,3,7-8,15H2,1H3,(H,16,18)
InChIKeyOEESUDUKBJTWSB-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.22
Rot. Bonds6

About 1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide

1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide (PubChem CID 82516554) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
PubChem CID82516554
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
SMILESCOCCCn1c(-c2cccs2)ccc(C(=O)NN)c1=O
InChIInChI=1S/C14H17N3O3S/c1-20-8-3-7-17-11(12-4-2-9-21-12)6-5-10(14(17)19)13(18)16-15/h2,4-6,9H,3,7-8,15H2,1H3,(H,16,18)
InChIKeyOEESUDUKBJTWSB-UHFFFAOYSA-N
XLogP1.22
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide
CID 82516663
3-(ethylaminomethyl)-1-(2-methoxyethyl)-6-thiophen-2-ylpyridin-2-one
CID 82516590
3-acetyl-1-propyl-6-thiophen-2-ylpyridin-2-one
CID 82516774
3-(hydroxymethyl)-1-pentyl-6-thiophen-2-ylpyridin-2-one
CID 82516662
1-(2-amino-2-oxoethyl)-2-oxo-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82099867
methyl 1-(3-methoxypropyl)-4-oxo-2-sulfanylidene-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 44823661
3-(2,5-dithiophen-2-ylpyrrol-1-yl)propylphosphonic acid
CID 68763160
(E)-3-(1-butyl-2-oxo-6-thiophen-2-yl-3-pyridinyl)prop-2-enoic acid
CID 82516717
2-(1-butyl-2-oxo-6-thiophen-2-yl-3-pyridinyl)acetonitrile
CID 82516724
4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one
CID 82447694
3-amino-1-methyl-6-thiophen-2-ylpyridin-2-one
CID 82467248
methyl 6-[3-(3-methoxypropyl)-2-thiophen-2-ylbenzimidazol-5-yl]oxyhexanoate
CID 10202025

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide?
The IUPAC name of 1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide (CID 82516554) is 1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide.
What is the SMILES notation for 1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide?
The canonical SMILES for 1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide is COCCCn1c(-c2cccs2)ccc(C(=O)NN)c1=O.
What is the InChIKey of 1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide?
The InChIKey is OEESUDUKBJTWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-8-3-7-17-11(12-4-2-9-21-12)6-5-10(14(17)19)13(18)16-15/h2,4-6,9H,3,7-8,15H2,1H3,(H,16,18).
What are the key properties of 1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide?
1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide has a molecular weight of 307.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbohydrazide is sourced from PubChem (CID 82516554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).