methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate

C10H13N3O4 — CID 62477602

IUPACmethyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate
SMILESCOC(=O)CN(C)c1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C10H13N3O4/c1-7-4-8(13(15)16)5-11-10(7)12(2)6-9(14)17-3/h4-5H,6H2,1-3H3
InChIKeyXMQMCICMLWECRN-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.91
Rot. Bonds4

About methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate

methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate (PubChem CID 62477602) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate
PubChem CID62477602
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Namemethyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate
SMILESCOC(=O)CN(C)c1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C10H13N3O4/c1-7-4-8(13(15)16)5-11-10(7)12(2)6-9(14)17-3/h4-5H,6H2,1-3H3
InChIKeyXMQMCICMLWECRN-UHFFFAOYSA-N
XLogP0.91
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62688298
methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate
CID 114046355
tert-butyl-(3-methyl-5-nitro-2-pyridinyl)carbamic acid
CID 66927025
methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate
CID 79734650
2-[(3-methyl-5-nitro-2-pyridinyl)-prop-2-ynylamino]acetic acid
CID 79275185
ethyl 2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetate
CID 66280292
2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 102869000
methyl 2-(3-chloro-5-nitro-2-pyridinyl)acetate
CID 118878120
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
CID 79718647
N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethyl-5-nitropyridin-2-amine
CID 56571004
ethyl 2-[(3-bromo-5-nitro-2-pyridinyl)-ethylamino]acetate
CID 79523362
4-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]benzonitrile
CID 62981573

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate (CID 62477602) is methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate is COC(=O)CN(C)c1ncc([N+](=O)[O-])cc1C.
What is the InChIKey of methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate?
The InChIKey is XMQMCICMLWECRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-7-4-8(13(15)16)5-11-10(7)12(2)6-9(14)17-3/h4-5H,6H2,1-3H3.
What are the key properties of methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate?
methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate has a molecular weight of 239.23 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate is sourced from PubChem (CID 62477602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).