3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide

C16H25N3O4 — CID 121404102

IUPAC3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide
SMILESCCCCOc1c(C(=O)NN(C)C)n(C2(CO)CC2)ccc1=O
InChIInChI=1S/C16H25N3O4/c1-4-5-10-23-14-12(21)6-9-19(16(11-20)7-8-16)13(14)15(22)17-18(2)3/h6,9,20H,4-5,7-8,10-11H2,1-3H3,(H,17,22)
InChIKeyUICVKFZVSPILTQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP0.71
Rot. Bonds8

About 3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide

3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide (PubChem CID 121404102) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide.

Molecular Properties

Compound Name3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide
PubChem CID121404102
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide
SMILESCCCCOc1c(C(=O)NN(C)C)n(C2(CO)CC2)ccc1=O
InChIInChI=1S/C16H25N3O4/c1-4-5-10-23-14-12(21)6-9-19(16(11-20)7-8-16)13(14)15(22)17-18(2)3/h6,9,20H,4-5,7-8,10-11H2,1-3H3,(H,17,22)
InChIKeyUICVKFZVSPILTQ-UHFFFAOYSA-N
XLogP0.71
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide?
The IUPAC name of 3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide (CID 121404102) is 3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide.
What is the SMILES notation for 3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide?
The canonical SMILES for 3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide is CCCCOc1c(C(=O)NN(C)C)n(C2(CO)CC2)ccc1=O.
What is the InChIKey of 3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide?
The InChIKey is UICVKFZVSPILTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-4-5-10-23-14-12(21)6-9-19(16(11-20)7-8-16)13(14)15(22)17-18(2)3/h6,9,20H,4-5,7-8,10-11H2,1-3H3,(H,17,22).
What are the key properties of 3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide?
3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide has a molecular weight of 323.39 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide is sourced from PubChem (CID 121404102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).