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

C18H19F2N3O3 — CID 87426496

IUPAC2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2cccc(OCC(F)F)c2C)ccn1
InChIInChI=1S/C18H19F2N3O3/c1-11-14(4-3-5-15(11)26-10-16(19)20)9-22-18(25)13-6-7-21-17(8-13)23-12(2)24/h3-8,16H,9-10H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyPSOVFYKYHVDZSH-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.92
Rot. Bonds7

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

2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide (PubChem CID 87426496) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is 2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide
PubChem CID87426496
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2cccc(OCC(F)F)c2C)ccn1
InChIInChI=1S/C18H19F2N3O3/c1-11-14(4-3-5-15(11)26-10-16(19)20)9-22-18(25)13-6-7-21-17(8-13)23-12(2)24/h3-8,16H,9-10H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyPSOVFYKYHVDZSH-UHFFFAOYSA-N
XLogP2.92
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67509581
2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426751
2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
CID 67153947
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-carboxamide
CID 62248324
N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 118065152
2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide
CID 87688831
2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509106
2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171065
2-(2-methylpropanoylamino)-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509985
2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 67509879
2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171051
2-(2,4-dimethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170430

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide (CID 87426496) is 2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NCc2cccc(OCC(F)F)c2C)ccn1.
What is the InChIKey of 2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide?
The InChIKey is PSOVFYKYHVDZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-11-14(4-3-5-15(11)26-10-16(19)20)9-22-18(25)13-6-7-21-17(8-13)23-12(2)24/h3-8,16H,9-10H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide?
2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 87426496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).