N-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide

C20H22F2N2O3 — CID 157148692

IUPACN-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide
SMILESCCC(=O)Cc1cc(C(=O)NCc2cc(C)cc(OCC(F)F)c2)ccn1
InChIInChI=1S/C20H22F2N2O3/c1-3-17(25)10-16-9-15(4-5-23-16)20(26)24-11-14-6-13(2)7-18(8-14)27-12-19(21)22/h4-9,19H,3,10-12H2,1-2H3,(H,24,26)
InChIKeyAKZUHBSCSVCZDX-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.49
Rot. Bonds9

About N-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide

N-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide (PubChem CID 157148692) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide
PubChem CID157148692
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC NameN-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide
SMILESCCC(=O)Cc1cc(C(=O)NCc2cc(C)cc(OCC(F)F)c2)ccn1
InChIInChI=1S/C20H22F2N2O3/c1-3-17(25)10-16-9-15(4-5-23-16)20(26)24-11-14-6-13(2)7-18(8-14)27-12-19(21)22/h4-9,19H,3,10-12H2,1-2H3,(H,24,26)
InChIKeyAKZUHBSCSVCZDX-UHFFFAOYSA-N
XLogP3.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide
CID 161020422
2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 67509879
N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide
CID 58247766
2-(2-oxopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 158665021
2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 162566186
2-(3-methyl-2-oxobutyl)-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 149184622
2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide
CID 87426496
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 161266007
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 159353207
N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
CID 58247843
N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 158862162
2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide
CID 166384916

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide?
The IUPAC name of N-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide (CID 157148692) is N-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide?
The canonical SMILES for N-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide is CCC(=O)Cc1cc(C(=O)NCc2cc(C)cc(OCC(F)F)c2)ccn1.
What is the InChIKey of N-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide?
The InChIKey is AKZUHBSCSVCZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-3-17(25)10-16-9-15(4-5-23-16)20(26)24-11-14-6-13(2)7-18(8-14)27-12-19(21)22/h4-9,19H,3,10-12H2,1-2H3,(H,24,26).
What are the key properties of N-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide?
N-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide is sourced from PubChem (CID 157148692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).