N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C19H21F3N2O4 — CID 46482950

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cccnc2OCC(F)(F)F)cc1OC
InChIInChI=1S/C19H21F3N2O4/c1-3-9-27-15-7-6-13(10-16(15)26-2)11-24-17(25)14-5-4-8-23-18(14)28-12-19(20,21)22/h4-8,10H,3,9,11-12H2,1-2H3,(H,24,25)
InChIKeyZDDOYHJQLZTABU-UHFFFAOYSA-N
MW398.38 g/mol
LogP3.75
Rot. Bonds9

About N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 46482950) has the molecular formula C19H21F3N2O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID46482950
Molecular FormulaC19H21F3N2O4
Molecular Weight398.38 g/mol
Exact Mass398.15
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cccnc2OCC(F)(F)F)cc1OC
InChIInChI=1S/C19H21F3N2O4/c1-3-9-27-15-7-6-13(10-16(15)26-2)11-24-17(25)14-5-4-8-23-18(14)28-12-19(20,21)22/h4-8,10H,3,9,11-12H2,1-2H3,(H,24,25)
InChIKeyZDDOYHJQLZTABU-UHFFFAOYSA-N
XLogP3.75
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31909915
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 2727206
N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134005289
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31848498
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate
CID 55778080
N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31900375
N-[(6-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87041610
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 60573967

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 46482950) is N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCCOc1ccc(CNC(=O)c2cccnc2OCC(F)(F)F)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is ZDDOYHJQLZTABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4/c1-3-9-27-15-7-6-13(10-16(15)26-2)11-24-17(25)14-5-4-8-23-18(14)28-12-19(20,21)22/h4-8,10H,3,9,11-12H2,1-2H3,(H,24,25).
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 398.38 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 46482950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).