N-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C11H13F3N4O3 — CID 133340342

IUPACN-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(NCC(=O)N(C)CC(F)(F)F)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H13F3N4O3/c1-7-3-9(15-4-8(7)18(20)21)16-5-10(19)17(2)6-11(12,13)14/h3-4H,5-6H2,1-2H3,(H,15,16)
InChIKeyQUSJBBXDXPEVLJ-UHFFFAOYSA-N
MW306.24 g/mol
LogP1.73
Rot. Bonds5

About N-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 133340342) has the molecular formula C11H13F3N4O3 and a molecular weight of 306.24 g/mol. Its IUPAC name is N-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID133340342
Molecular FormulaC11H13F3N4O3
Molecular Weight306.24 g/mol
Exact Mass306.09
IUPAC NameN-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(NCC(=O)N(C)CC(F)(F)F)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H13F3N4O3/c1-7-3-9(15-4-8(7)18(20)21)16-5-10(19)17(2)6-11(12,13)14/h3-4H,5-6H2,1-2H3,(H,15,16)
InChIKeyQUSJBBXDXPEVLJ-UHFFFAOYSA-N
XLogP1.73
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.73
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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Related Compounds

N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 133340888
N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide
CID 112696061
N-tert-butyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83268004
N-(2-methoxy-2-methylpropyl)-4-methyl-5-nitropyridin-2-amine
CID 115669177
2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83267356
5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 107302588
2-ethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79176024
4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine
CID 103952381
(2S)-4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
CID 120964560
N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 71996239
5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 83267804
4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine
CID 103761740

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 133340342) is N-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(NCC(=O)N(C)CC(F)(F)F)ncc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QUSJBBXDXPEVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O3/c1-7-3-9(15-4-8(7)18(20)21)16-5-10(19)17(2)6-11(12,13)14/h3-4H,5-6H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 306.24 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 133340342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).