4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide

C20H15F5N4O3 — CID 71144232

IUPAC4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)cc1N
InChIInChI=1S/C20H15F5N4O3/c1-31-16-9-28-14(8-13(16)26)19(30)29-17(18-11(21)3-2-6-27-18)10-4-5-15(12(22)7-10)32-20(23,24)25/h2-9,17H,1H3,(H2,26,28)(H,29,30)
InChIKeyADQKVMXOLZOYOO-UHFFFAOYSA-N
MW454.36 g/mol
LogP3.76
Rot. Bonds6

About 4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide

4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide (PubChem CID 71144232) has the molecular formula C20H15F5N4O3 and a molecular weight of 454.36 g/mol. Its IUPAC name is 4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide
PubChem CID71144232
Molecular FormulaC20H15F5N4O3
Molecular Weight454.36 g/mol
Exact Mass454.11
IUPAC Name4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)cc1N
InChIInChI=1S/C20H15F5N4O3/c1-31-16-9-28-14(8-13(16)26)19(30)29-17(18-11(21)3-2-6-27-18)10-4-5-15(12(22)7-10)32-20(23,24)25/h2-9,17H,1H3,(H2,26,28)(H,29,30)
InChIKeyADQKVMXOLZOYOO-UHFFFAOYSA-N
XLogP3.76
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.36
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide (CID 71144232) is 4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide is COc1cnc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)cc1N.
What is the InChIKey of 4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide?
The InChIKey is ADQKVMXOLZOYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N4O3/c1-31-16-9-28-14(8-13(16)26)19(30)29-17(18-11(21)3-2-6-27-18)10-4-5-15(12(22)7-10)32-20(23,24)25/h2-9,17H,1H3,(H2,26,28)(H,29,30).
What are the key properties of 4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide?
4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide has a molecular weight of 454.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 71144232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).