N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide

C14H8F6N4O3 — CID 141373198

IUPACN-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
SMILESNc1nc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H8F6N4O3/c15-13(16,17)7-3-6(4-8(5-7)14(18,19)20)12(25)23-10-2-1-9(24(26)27)11(21)22-10/h1-5H,(H3,21,22,23,25)
InChIKeyIDSKXHQHQLMKGU-UHFFFAOYSA-N
MW394.23 g/mol
LogP3.86
Rot. Bonds3

About N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide

N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 141373198) has the molecular formula C14H8F6N4O3 and a molecular weight of 394.23 g/mol. Its IUPAC name is N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID141373198
Molecular FormulaC14H8F6N4O3
Molecular Weight394.23 g/mol
Exact Mass394.05
IUPAC NameN-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
SMILESNc1nc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H8F6N4O3/c15-13(16,17)7-3-6(4-8(5-7)14(18,19)20)12(25)23-10-2-1-9(24(26)27)11(21)22-10/h1-5H,(H3,21,22,23,25)
InChIKeyIDSKXHQHQLMKGU-UHFFFAOYSA-N
XLogP3.86
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 53.86
H-Bond Donors ≤ 52
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'}

Analyze N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide 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

N-(6-amino-5-nitro-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 141373212
N-(6-amino-5-nitro-2-pyridinyl)-2-ethyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 141373176
4-[(6-amino-5-nitro-2-pyridinyl)amino]benzoic acid
CID 79826488
N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide
CID 154292912
N-(5-methyl-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
CID 43016681
3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide
CID 67040567
N-(6-amino-5-nitro-2-pyridinyl)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide
CID 141413628
3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097286
6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106329524
3,5-dinitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9097997
2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid
CID 79825656
N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-2-nitrobenzamide
CID 34198576

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide (CID 141373198) is N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide is Nc1nc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is IDSKXHQHQLMKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N4O3/c15-13(16,17)7-3-6(4-8(5-7)14(18,19)20)12(25)23-10-2-1-9(24(26)27)11(21)22-10/h1-5H,(H3,21,22,23,25).
What are the key properties of N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide?
N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 394.23 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 141373198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).