N,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine

C15H14F3N3O3 — CID 133361476

IUPACN,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
SMILESCc1ccnc(N(C)Cc2cccc(OC(F)(F)F)c2)c1[N+](=O)[O-]
InChIInChI=1S/C15H14F3N3O3/c1-10-6-7-19-14(13(10)21(22)23)20(2)9-11-4-3-5-12(8-11)24-15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyOIHVSSGTSTXDAX-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.83
Rot. Bonds5

About N,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine

N,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine (PubChem CID 133361476) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is N,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
PubChem CID133361476
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC NameN,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
SMILESCc1ccnc(N(C)Cc2cccc(OC(F)(F)F)c2)c1[N+](=O)[O-]
InChIInChI=1S/C15H14F3N3O3/c1-10-6-7-19-14(13(10)21(22)23)20(2)9-11-4-3-5-12(8-11)24-15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyOIHVSSGTSTXDAX-UHFFFAOYSA-N
XLogP3.83
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
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-[(6-amino-3-pyridinyl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine
CID 75458616
2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
CID 78966791
5-chloro-N-methyl-2-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 166219229
4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
CID 167840227
3-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119345484
N-benzyl-6-(4-chloro-3-methylphenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 23478082
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridazin-3-amine
CID 133362551
3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]-2-nitroaniline
CID 61397771
1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119822061
N-benzyl-6-ethoxy-N-methyl-5-nitropyrimidin-4-amine
CID 23478068
(2R)-2-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119345497

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
The IUPAC name of N,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine (CID 133361476) is N,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for N,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for N,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine is Cc1ccnc(N(C)Cc2cccc(OC(F)(F)F)c2)c1[N+](=O)[O-].
What is the InChIKey of N,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
The InChIKey is OIHVSSGTSTXDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-10-6-7-19-14(13(10)21(22)23)20(2)9-11-4-3-5-12(8-11)24-15(16,17)18/h3-8H,9H2,1-2H3.
What are the key properties of N,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
N,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine has a molecular weight of 341.29 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 133361476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).