N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide

C19H18F6N2O4 — CID 118084207

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide
SMILESCOc1cc(C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)CO)[nH]c(=O)c1
InChIInChI=1S/C19H18F6N2O4/c1-10(9-28)27(17(30)15-6-14(31-2)7-16(29)26-15)8-11-3-12(18(20,21)22)5-13(4-11)19(23,24)25/h3-7,10,28H,8-9H2,1-2H3,(H,26,29)
InChIKeyAUSULVQNUNZUET-UHFFFAOYSA-N
MW452.35 g/mol
LogP3.44
Rot. Bonds6

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 118084207) has the molecular formula C19H18F6N2O4 and a molecular weight of 452.35 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide
PubChem CID118084207
Molecular FormulaC19H18F6N2O4
Molecular Weight452.35 g/mol
Exact Mass452.12
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide
SMILESCOc1cc(C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)CO)[nH]c(=O)c1
InChIInChI=1S/C19H18F6N2O4/c1-10(9-28)27(17(30)15-6-14(31-2)7-16(29)26-15)8-11-3-12(18(20,21)22)5-13(4-11)19(23,24)25/h3-7,10,28H,8-9H2,1-2H3,(H,26,29)
InChIKeyAUSULVQNUNZUET-UHFFFAOYSA-N
XLogP3.44
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide (CID 118084207) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide is COc1cc(C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)CO)[nH]c(=O)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is AUSULVQNUNZUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N2O4/c1-10(9-28)27(17(30)15-6-14(31-2)7-16(29)26-15)8-11-3-12(18(20,21)22)5-13(4-11)19(23,24)25/h3-7,10,28H,8-9H2,1-2H3,(H,26,29).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 452.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(1-hydroxypropan-2-yl)-4-methoxy-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 118084207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).