3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C19H18F6N4O3 — CID 89452983

IUPAC3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC=Cc1c(N)c(C(=O)NCC(C)(O)C(F)(F)F)nc(-c2cccnc2OC)c1C(F)(F)F
InChIInChI=1S/C19H18F6N4O3/c1-4-9-11(18(20,21)22)13(10-6-5-7-27-16(10)32-3)29-14(12(9)26)15(30)28-8-17(2,31)19(23,24)25/h4-7,31H,1,8,26H2,2-3H3,(H,28,30)
InChIKeyALVHKIYEDCWLOZ-UHFFFAOYSA-N
MW464.37 g/mol
LogP3.44
Rot. Bonds6

About 3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 89452983) has the molecular formula C19H18F6N4O3 and a molecular weight of 464.37 g/mol. Its IUPAC name is 3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID89452983
Molecular FormulaC19H18F6N4O3
Molecular Weight464.37 g/mol
Exact Mass464.13
IUPAC Name3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESC=Cc1c(N)c(C(=O)NCC(C)(O)C(F)(F)F)nc(-c2cccnc2OC)c1C(F)(F)F
InChIInChI=1S/C19H18F6N4O3/c1-4-9-11(18(20,21)22)13(10-6-5-7-27-16(10)32-3)29-14(12(9)26)15(30)28-8-17(2,31)19(23,24)25/h4-7,31H,1,8,26H2,2-3H3,(H,28,30)
InChIKeyALVHKIYEDCWLOZ-UHFFFAOYSA-N
XLogP3.44
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.37
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate
CID 65173933
N-(3-bromo-2,2-dimethylpropyl)-2-methoxypyridine-3-carboxamide
CID 115364804
3-amino-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
CID 104742439
6-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 136518357
2-methoxy-3-(trifluoromethyl)pyridin-4-amine
CID 118806319
[[2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carbonyl]amino] 2,2,2-trifluoroacetate
CID 139485217
2-amino-3,3,3-trifluoro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 79797297
3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-methylbenzamide
CID 58397297
2-methoxy-3-(trifluoromethylsulfonyl)pyridine
CID 67361134
3-amino-6-bromo-N-(3,3,3-trifluoro-2-methoxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 58442364
3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide
CID 175833498

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 89452983) is 3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is C=Cc1c(N)c(C(=O)NCC(C)(O)C(F)(F)F)nc(-c2cccnc2OC)c1C(F)(F)F.
What is the InChIKey of 3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ALVHKIYEDCWLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N4O3/c1-4-9-11(18(20,21)22)13(10-6-5-7-27-16(10)32-3)29-14(12(9)26)15(30)28-8-17(2,31)19(23,24)25/h4-7,31H,1,8,26H2,2-3H3,(H,28,30).
What are the key properties of 3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 464.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethenyl-6-(2-methoxy-3-pyridinyl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 89452983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).