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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Related Compounds

3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide
CID 121401640
tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate
CID 67471526
3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide
CID 71030988
3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one
CID 90068928
(4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione
CID 90245194
4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764949
3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 67471510
3-butoxy-4-oxopyran-2-carboxylic acid
CID 87065598
1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide
CID 143761971
3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride
CID 90075769
3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide
CID 88560108
3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid
CID 10243320

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).