N,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide

C12H15F3N4O4 — CID 141419191

IUPACN,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide
SMILESCN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1
InChIInChI=1S/C12H15F3N4O4/c1-17(2)10(20)6-18(3)9-5-4-8(19(21)22)11(16-9)23-7-12(13,14)15/h4-5H,6-7H2,1-3H3
InChIKeyAIUJDAOMGSZVAV-UHFFFAOYSA-N
MW336.27 g/mol
LogP1.46
Rot. Bonds6

About N,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide

N,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide (PubChem CID 141419191) has the molecular formula C12H15F3N4O4 and a molecular weight of 336.27 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide
PubChem CID141419191
Molecular FormulaC12H15F3N4O4
Molecular Weight336.27 g/mol
Exact Mass336.10
IUPAC NameN,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide
SMILESCN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1
InChIInChI=1S/C12H15F3N4O4/c1-17(2)10(20)6-18(3)9-5-4-8(19(21)22)11(16-9)23-7-12(13,14)15/h4-5H,6-7H2,1-3H3
InChIKeyAIUJDAOMGSZVAV-UHFFFAOYSA-N
XLogP1.46
TPSA88.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 51.46
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

2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine
CID 118861409
N-[6-[2-(dimethylamino)ethyl-methylamino]-5-nitro-2-(2,2,2-trifluoroethoxy)pyridin-3-yl]acetamide
CID 129239766
N-[3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-yl]pentanamide
CID 21663107
N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 67356964
[6-(4-Methylpiperazin-1-yl)-3-nitro-2-pyridinyl] 2,2,2-trifluoroacetate
CID 68696436
6-isopropoxy-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 90427196
1-[4-[5-Amino-6-(2,2,2-trifluoroethoxy)pyridin-2-yl]piperazin-1-yl]ethanone
CID 118253022
2-[4-[5-Amino-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperazin-1-yl]acetaldehyde
CID 118256474
N-(2-fluoroethyl)-3-nitro-6-propan-2-yloxypyridin-2-amine
CID 118699450
tert-butyl N-[6-[2-(dimethylamino)ethyl-methylamino]-5-nitro-2-(2,2,2-trifluoroethoxy)pyridin-3-yl]carbamate
CID 118861418
[6-[2-(Dimethylamino)ethyl-methylamino]-5-nitro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamic acid
CID 129239793
6-(2,2-difluoroethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitropyridine-2,3-diamine
CID 130205878

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide (CID 141419191) is N,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide is CN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1.
What is the InChIKey of N,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide?
The InChIKey is AIUJDAOMGSZVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O4/c1-17(2)10(20)6-18(3)9-5-4-8(19(21)22)11(16-9)23-7-12(13,14)15/h4-5H,6-7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide?
N,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide has a molecular weight of 336.27 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]acetamide is sourced from PubChem (CID 141419191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).