3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C20H22F6N4O3 — CID 58442332

IUPAC3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1ccc(CNC(C)(CNC(=O)c2nc(OC)c(C(F)(F)F)cc2N)C(F)(F)F)cc1
InChIInChI=1S/C20H22F6N4O3/c1-18(20(24,25)26,29-9-11-4-6-12(32-2)7-5-11)10-28-16(31)15-14(27)8-13(19(21,22)23)17(30-15)33-3/h4-8,29H,9-10,27H2,1-3H3,(H,28,31)
InChIKeyJLZLMMKWPPNUJJ-UHFFFAOYSA-N
MW480.41 g/mol
LogP3.54
Rot. Bonds8

About 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 58442332) has the molecular formula C20H22F6N4O3 and a molecular weight of 480.41 g/mol. Its IUPAC name is 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID58442332
Molecular FormulaC20H22F6N4O3
Molecular Weight480.41 g/mol
Exact Mass480.16
IUPAC Name3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1ccc(CNC(C)(CNC(=O)c2nc(OC)c(C(F)(F)F)cc2N)C(F)(F)F)cc1
InChIInChI=1S/C20H22F6N4O3/c1-18(20(24,25)26,29-9-11-4-6-12(32-2)7-5-11)10-28-16(31)15-14(27)8-13(19(21,22)23)17(30-15)33-3/h4-8,29H,9-10,27H2,1-3H3,(H,28,31)
InChIKeyJLZLMMKWPPNUJJ-UHFFFAOYSA-N
XLogP3.54
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.41
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 58442332) is 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide is COc1ccc(CNC(C)(CNC(=O)c2nc(OC)c(C(F)(F)F)cc2N)C(F)(F)F)cc1.
What is the InChIKey of 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JLZLMMKWPPNUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F6N4O3/c1-18(20(24,25)26,29-9-11-4-6-12(32-2)7-5-11)10-28-16(31)15-14(27)8-13(19(21,22)23)17(30-15)33-3/h4-8,29H,9-10,27H2,1-3H3,(H,28,31).
What are the key properties of 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 480.41 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 58442332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).