2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide

C20H23F2N3O3 — CID 87426722

IUPAC2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)c2cc(OCC(F)F)ccc2C)cc(C)n1
InChIInChI=1S/C20H23F2N3O3/c1-11-5-6-16(28-10-18(21)22)9-17(11)13(3)24-20(27)15-7-12(2)23-19(8-15)25-14(4)26/h5-9,13,18H,10H2,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyGQAZLQRJYZDZLW-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.79
Rot. Bonds7

About 2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide

2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide (PubChem CID 87426722) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide
PubChem CID87426722
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)c2cc(OCC(F)F)ccc2C)cc(C)n1
InChIInChI=1S/C20H23F2N3O3/c1-11-5-6-16(28-10-18(21)22)9-17(11)13(3)24-20(27)15-7-12(2)23-19(8-15)25-14(4)26/h5-9,13,18H,10H2,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyGQAZLQRJYZDZLW-UHFFFAOYSA-N
XLogP3.79
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426798
2-acetamido-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511304
N-[1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 158070250
2-acetamido-6-methyl-N-[1-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67508895
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methylpyridine-4-carboxamide
CID 162566089
2-acetamido-6-methyl-N-[1-[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 87427220
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-cyclopropylacetyl)amino]-6-methylpyridine-4-carboxamide
CID 87426752
N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426669
N-[(1R)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 162565999
2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 67508998
N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87427034
2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
CID 137368022

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide (CID 87426722) is 2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NC(C)c2cc(OCC(F)F)ccc2C)cc(C)n1.
What is the InChIKey of 2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide?
The InChIKey is GQAZLQRJYZDZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-11-5-6-16(28-10-18(21)22)9-17(11)13(3)24-20(27)15-7-12(2)23-19(8-15)25-14(4)26/h5-9,13,18H,10H2,1-4H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide?
2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-[5-(2,2-difluoroethoxy)-2-methylphenyl]ethyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 87426722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).