N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide

C17H18N4O3S — CID 55872031

IUPACN'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)NNC(=O)c1cccnc1
InChIInChI=1S/C17H18N4O3S/c22-15(19-20-17(24)12-2-1-7-18-10-12)3-4-16(23)21-8-5-14-13(11-21)6-9-25-14/h1-2,6-7,9-10H,3-5,8,11H2,(H,19,22)(H,20,24)
InChIKeyOTVQXCAFHHCSBC-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.27
Rot. Bonds4

About N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide

N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide (PubChem CID 55872031) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide
PubChem CID55872031
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)NNC(=O)c1cccnc1
InChIInChI=1S/C17H18N4O3S/c22-15(19-20-17(24)12-2-1-7-18-10-12)3-4-16(23)21-8-5-14-13(11-21)6-9-25-14/h1-2,6-7,9-10H,3-5,8,11H2,(H,19,22)(H,20,24)
InChIKeyOTVQXCAFHHCSBC-UHFFFAOYSA-N
XLogP1.27
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide
CID 55877866
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 55872850
N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 119384096
3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888504
(2S)-2-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-2-phenylacetic acid
CID 119372661
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 52694536
trans-(1R,2R)-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 94416105
N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-2-(furan-2-yl)quinoline-4-carbohydrazide
CID 55914668
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide
CID 55871262
N-(3-aminopropyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride
CID 119407293
N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide
CID 35152458
N-[(3-chlorophenyl)methyl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 55884421

Frequently Asked Questions

What is the IUPAC name of N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide (CID 55872031) is N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide is O=C(CCC(=O)N1CCc2sccc2C1)NNC(=O)c1cccnc1.
What is the InChIKey of N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide?
The InChIKey is OTVQXCAFHHCSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c22-15(19-20-17(24)12-2-1-7-18-10-12)3-4-16(23)21-8-5-14-13(11-21)6-9-25-14/h1-2,6-7,9-10H,3-5,8,11H2,(H,19,22)(H,20,24).
What are the key properties of N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide?
N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide has a molecular weight of 358.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 55872031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).