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

C20H15F5N4O3 — CID 71144231

IUPAC4-amino-N-[[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)NCc2nccc(-c3ccc(OC(F)(F)F)c(F)c3)c2F)cc1N
InChIInChI=1S/C20H15F5N4O3/c1-31-17-9-28-14(7-13(17)26)19(30)29-8-15-18(22)11(4-5-27-15)10-2-3-16(12(21)6-10)32-20(23,24)25/h2-7,9H,8H2,1H3,(H2,26,28)(H,29,30)
InChIKeyQNGPIDNPKJAHAR-UHFFFAOYSA-N
MW454.36 g/mol
LogP3.84
Rot. Bonds6

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

4-amino-N-[[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-5-methoxypyridine-2-carboxamide (PubChem CID 71144231) has the molecular formula C20H15F5N4O3 and a molecular weight of 454.36 g/mol. Its IUPAC name is 4-amino-N-[[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-5-methoxypyridine-2-carboxamide
PubChem CID71144231
Molecular FormulaC20H15F5N4O3
Molecular Weight454.36 g/mol
Exact Mass454.11
IUPAC Name4-amino-N-[[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)NCc2nccc(-c3ccc(OC(F)(F)F)c(F)c3)c2F)cc1N
InChIInChI=1S/C20H15F5N4O3/c1-31-17-9-28-14(7-13(17)26)19(30)29-8-15-18(22)11(4-5-27-15)10-2-3-16(12(21)6-10)32-20(23,24)25/h2-7,9H,8H2,1H3,(H2,26,28)(H,29,30)
InChIKeyQNGPIDNPKJAHAR-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2988566
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CID 10475033
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CID 11740167
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CID 46191662
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CID 53240812
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CID 53241933
CID 53241933

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-5-methoxypyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-5-methoxypyridine-2-carboxamide (CID 71144231) is 4-amino-N-[[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-5-methoxypyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-5-methoxypyridine-2-carboxamide is COc1cnc(C(=O)NCc2nccc(-c3ccc(OC(F)(F)F)c(F)c3)c2F)cc1N.
What is the InChIKey of 4-amino-N-[[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-5-methoxypyridine-2-carboxamide?
The InChIKey is QNGPIDNPKJAHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N4O3/c1-31-17-9-28-14(7-13(17)26)19(30)29-8-15-18(22)11(4-5-27-15)10-2-3-16(12(21)6-10)32-20(23,24)25/h2-7,9H,8H2,1H3,(H2,26,28)(H,29,30).
What are the key properties of 4-amino-N-[[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-5-methoxypyridine-2-carboxamide?
4-amino-N-[[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-5-methoxypyridine-2-carboxamide has a molecular weight of 454.36 g/mol, XLogP of 3.84, 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-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 71144231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).