methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate

C17H25N3O6 — CID 170945380

IUPACmethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cn(C2CCOCC2)c(=O)cc1NNC(=O)OC(C)(C)C
InChIInChI=1S/C17H25N3O6/c1-17(2,3)26-16(23)19-18-13-9-14(21)20(10-12(13)15(22)24-4)11-5-7-25-8-6-11/h9-11,18H,5-8H2,1-4H3,(H,19,23)
InChIKeySATZJJKTUKXKQN-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.84
Rot. Bonds4

About methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate

methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate (PubChem CID 170945380) has the molecular formula C17H25N3O6 and a molecular weight of 367.40 g/mol. Its IUPAC name is methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate
PubChem CID170945380
Molecular FormulaC17H25N3O6
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Namemethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cn(C2CCOCC2)c(=O)cc1NNC(=O)OC(C)(C)C
InChIInChI=1S/C17H25N3O6/c1-17(2,3)26-16(23)19-18-13-9-14(21)20(10-12(13)15(22)24-4)11-5-7-25-8-6-11/h9-11,18H,5-8H2,1-4H3,(H,19,23)
InChIKeySATZJJKTUKXKQN-UHFFFAOYSA-N
XLogP1.84
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate with MolForge

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Related Compounds

5-[(2-methylpropan-2-yl)oxycarbonyl]-1-(oxan-4-yl)-2-oxopyridine-4-carboxylic acid
CID 166147709
3-O-tert-butyl 4-O-methyl 1-(3-hydroxycyclobutyl)-6-oxopyridine-3,4-dicarboxylate
CID 166147661
tert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate
CID 171835902
methyl 3-methylsulfanyl-1-(oxan-4-yl)pyrazole-5-carboxylate
CID 139229088
tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate
CID 146560939
tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
CID 147187788
tert-butyl 3,3-difluoro-4-[[5-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]carbamoyl]-1-(oxan-4-yl)-2-oxo-4-pyridinyl]amino]piperidine-1-carboxylate
CID 169126708
methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate
CID 146327520
tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-5-[[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxymethyl]-2-oxo-3-pyridinyl]carbamate
CID 177331219
methyl 2-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-3-(oxan-4-ylamino)benzoate
CID 157479888
methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-yl-2,1,3-benzoxadiazole-5-carboxylate
CID 155341907
5,6,7-trifluoro-1-(oxan-4-yl)-4-oxoquinoline-3-carboxylate
CID 86616056

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate (CID 170945380) is methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate is COC(=O)c1cn(C2CCOCC2)c(=O)cc1NNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate?
The InChIKey is SATZJJKTUKXKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6/c1-17(2,3)26-16(23)19-18-13-9-14(21)20(10-12(13)15(22)24-4)11-5-7-25-8-6-11/h9-11,18H,5-8H2,1-4H3,(H,19,23).
What are the key properties of methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate?
methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate has a molecular weight of 367.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-(oxan-4-yl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 170945380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).