N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide

C22H26F2N2O4 — CID 158862162

IUPACN-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2ccnc(CC(=O)C(C)C)c2)ccc1OCC(F)F
InChIInChI=1S/C22H26F2N2O4/c1-13(2)18(27)11-17-9-16(7-8-25-17)22(28)26-14(3)15-5-6-19(20(10-15)29-4)30-12-21(23)24/h5-10,13-14,21H,11-12H2,1-4H3,(H,26,28)
InChIKeyJAUCFUJIMMTEOX-UHFFFAOYSA-N
MW420.46 g/mol
LogP3.99
Rot. Bonds10

About N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide

N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide (PubChem CID 158862162) has the molecular formula C22H26F2N2O4 and a molecular weight of 420.46 g/mol. Its IUPAC name is N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
PubChem CID158862162
Molecular FormulaC22H26F2N2O4
Molecular Weight420.46 g/mol
Exact Mass420.19
IUPAC NameN-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2ccnc(CC(=O)C(C)C)c2)ccc1OCC(F)F
InChIInChI=1S/C22H26F2N2O4/c1-13(2)18(27)11-17-9-16(7-8-25-17)22(28)26-14(3)15-5-6-19(20(10-15)29-4)30-12-21(23)24/h5-10,13-14,21H,11-12H2,1-4H3,(H,26,28)
InChIKeyJAUCFUJIMMTEOX-UHFFFAOYSA-N
XLogP3.99
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-[1-[6-(2,2-difluoroethoxy)-5-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 159797383
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
4-[1-(4-butoxy-3-methoxyphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119181722
2-(3-methyl-2-oxobutyl)-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 161116148
3-chloro-4-(2,2-difluoropropoxy)-N-[1-[2-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]benzamide
CID 157494045
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119732117
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 51940490
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128
(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669
1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 50896740
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
The IUPAC name of N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide (CID 158862162) is N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide is COc1cc(C(C)NC(=O)c2ccnc(CC(=O)C(C)C)c2)ccc1OCC(F)F.
What is the InChIKey of N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
The InChIKey is JAUCFUJIMMTEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O4/c1-13(2)18(27)11-17-9-16(7-8-25-17)22(28)26-14(3)15-5-6-19(20(10-15)29-4)30-12-21(23)24/h5-10,13-14,21H,11-12H2,1-4H3,(H,26,28).
What are the key properties of N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide is sourced from PubChem (CID 158862162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).