methyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid

C15H23N3O5 — CID 146303885

IUPACmethyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid
SMILESCC(C)c1cc(OCCN(C)C(=O)O)nc(C(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O5/c1-9(2)11-8-12(23-7-6-17(5)15(19)20)16-13(10(3)4)14(11)18(21)22/h8-10H,6-7H2,1-5H3,(H,19,20)
InChIKeySBBZCDVTCFEMFZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.23
Rot. Bonds7

About methyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid

methyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid (PubChem CID 146303885) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is methyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid
PubChem CID146303885
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Namemethyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid
SMILESCC(C)c1cc(OCCN(C)C(=O)O)nc(C(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O5/c1-9(2)11-8-12(23-7-6-17(5)15(19)20)16-13(10(3)4)14(11)18(21)22/h8-10H,6-7H2,1-5H3,(H,19,20)
InChIKeySBBZCDVTCFEMFZ-UHFFFAOYSA-N
XLogP3.23
TPSA105.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 methyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid?
The IUPAC name of methyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid (CID 146303885) is methyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid.
What is the SMILES notation for methyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid?
The canonical SMILES for methyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid is CC(C)c1cc(OCCN(C)C(=O)O)nc(C(C)C)c1[N+](=O)[O-].
What is the InChIKey of methyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid?
The InChIKey is SBBZCDVTCFEMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-9(2)11-8-12(23-7-6-17(5)15(19)20)16-13(10(3)4)14(11)18(21)22/h8-10H,6-7H2,1-5H3,(H,19,20).
What are the key properties of methyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid?
methyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid has a molecular weight of 325.37 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[[5-nitro-4,6-di(propan-2-yl)-2-pyridinyl]oxy]ethyl]carbamic acid is sourced from PubChem (CID 146303885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).