3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide

C13H16F6N4O2 — CID 175748213

IUPAC3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCC(C)(N)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C13H16F6N4O2/c1-3-25-10-6(12(14,15)16)4-7(20)8(23-10)9(24)22-5-11(2,21)13(17,18)19/h4H,3,5,20-21H2,1-2H3,(H,22,24)
InChIKeyDNZZYTZVFJCWGQ-UHFFFAOYSA-N
MW374.29 g/mol
LogP2.09
Rot. Bonds5

About 3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 175748213) has the molecular formula C13H16F6N4O2 and a molecular weight of 374.29 g/mol. Its IUPAC name is 3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID175748213
Molecular FormulaC13H16F6N4O2
Molecular Weight374.29 g/mol
Exact Mass374.12
IUPAC Name3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCC(C)(N)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C13H16F6N4O2/c1-3-25-10-6(12(14,15)16)4-7(20)8(23-10)9(24)22-5-11(2,21)13(17,18)19/h4H,3,5,20-21H2,1-2H3,(H,22,24)
InChIKeyDNZZYTZVFJCWGQ-UHFFFAOYSA-N
XLogP2.09
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 78089503
3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 89448319
3-amino-6-bromo-N-(3,3,3-trifluoro-2-methoxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 58442364
3-amino-6-bromo-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 53472279
3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154014203
methyl 3-[[3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 58442333
3-bromo-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 135153327
ethyl 2-[4-amino-2,5-bis(trifluoromethyl)phenyl]acetate
CID 134633207
ethyl 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134684036
1-[4-amino-5-ethoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171026594
2-ethoxy-3,6-bis(trifluoromethyl)pyridine
CID 133095206
3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 169126076

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide (CID 175748213) is 3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide is CCOc1nc(C(=O)NCC(C)(N)C(F)(F)F)c(N)cc1C(F)(F)F.
What is the InChIKey of 3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is DNZZYTZVFJCWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F6N4O2/c1-3-25-10-6(12(14,15)16)4-7(20)8(23-10)9(24)22-5-11(2,21)13(17,18)19/h4H,3,5,20-21H2,1-2H3,(H,22,24).
What are the key properties of 3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 374.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 175748213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).