N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine

C13H14F3N5O2 — CID 84588425

IUPACN,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine
SMILESCc1nc(N(C)Cc2nccn2CC(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H14F3N5O2/c1-9-10(21(22)23)3-4-11(18-9)19(2)7-12-17-5-6-20(12)8-13(14,15)16/h3-6H,7-8H2,1-2H3
InChIKeyKWJPCCSRNXMZFQ-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.69
Rot. Bonds5

About N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine

N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine (PubChem CID 84588425) has the molecular formula C13H14F3N5O2 and a molecular weight of 329.28 g/mol. Its IUPAC name is N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine
PubChem CID84588425
Molecular FormulaC13H14F3N5O2
Molecular Weight329.28 g/mol
Exact Mass329.11
IUPAC NameN,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine
SMILESCc1nc(N(C)Cc2nccn2CC(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H14F3N5O2/c1-9-10(21(22)23)3-4-11(18-9)19(2)7-12-17-5-6-20(12)8-13(14,15)16/h3-6H,7-8H2,1-2H3
InChIKeyKWJPCCSRNXMZFQ-UHFFFAOYSA-N
XLogP2.69
TPSA77.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.69
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'}

Analyze N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-methyl-3-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzenesulfonamide
CID 51135899
N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 133412898
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-nitroaniline
CID 133324452
1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80718215
(2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
CID 97329550
2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole
CID 22938673
2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol
CID 141419227
(2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide
CID 120941000
5-[[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120899856
1-ethyl-N,N-dimethyl-2-[[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]methyl]benzimidazole-5-sulfonamide
CID 56509386
(1S,2S,4S)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98760974
N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 56521672

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine?
The IUPAC name of N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine (CID 84588425) is N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine?
The canonical SMILES for N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine is Cc1nc(N(C)Cc2nccn2CC(F)(F)F)ccc1[N+](=O)[O-].
What is the InChIKey of N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine?
The InChIKey is KWJPCCSRNXMZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O2/c1-9-10(21(22)23)3-4-11(18-9)19(2)7-12-17-5-6-20(12)8-13(14,15)16/h3-6H,7-8H2,1-2H3.
What are the key properties of N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine?
N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine has a molecular weight of 329.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 84588425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).