2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide

C20H23F2N5O4 — CID 162566142

IUPAC2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
SMILESC=C(C)C(F)(F)COc1ncc(CNC(=O)c2cc(C)nc(NC(C)=O)n2)cc1OC
InChIInChI=1S/C20H23F2N5O4/c1-11(2)20(21,22)10-31-18-16(30-5)7-14(9-24-18)8-23-17(29)15-6-12(3)25-19(27-15)26-13(4)28/h6-7,9H,1,8,10H2,2-5H3,(H,23,29)(H,25,26,27,28)
InChIKeyPZIQKLIXHZDCKN-UHFFFAOYSA-N
MW435.43 g/mol
LogP2.67
Rot. Bonds9

About 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide

2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 162566142) has the molecular formula C20H23F2N5O4 and a molecular weight of 435.43 g/mol. Its IUPAC name is 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
PubChem CID162566142
Molecular FormulaC20H23F2N5O4
Molecular Weight435.43 g/mol
Exact Mass435.17
IUPAC Name2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
SMILESC=C(C)C(F)(F)COc1ncc(CNC(=O)c2cc(C)nc(NC(C)=O)n2)cc1OC
InChIInChI=1S/C20H23F2N5O4/c1-11(2)20(21,22)10-31-18-16(30-5)7-14(9-24-18)8-23-17(29)15-6-12(3)25-19(27-15)26-13(4)28/h6-7,9H,1,8,10H2,2-5H3,(H,23,29)(H,25,26,27,28)
InChIKeyPZIQKLIXHZDCKN-UHFFFAOYSA-N
XLogP2.67
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 162566306
N-[1-[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]ethyl]-6-methyl-2-(propanoylamino)pyrimidine-4-carboxamide
CID 162566020
N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide
CID 158079738
N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methyl-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 162566103
2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-(2-methylphenyl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 162566269
N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-6-methylpyrimidin-2-yl]acetamide
CID 158242267
2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-(furan-2-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 160992762
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-methyl-2-(propanoylamino)pyrimidine-4-carboxamide
CID 142503835
2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327308
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-methyl-2-(2-methylpropanoylamino)pyrimidine-4-carboxamide
CID 142503841
2-acetamido-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67511302
2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 67508666

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide (CID 162566142) is 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide is C=C(C)C(F)(F)COc1ncc(CNC(=O)c2cc(C)nc(NC(C)=O)n2)cc1OC.
What is the InChIKey of 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is PZIQKLIXHZDCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O4/c1-11(2)20(21,22)10-31-18-16(30-5)7-14(9-24-18)8-23-17(29)15-6-12(3)25-19(27-15)26-13(4)28/h6-7,9H,1,8,10H2,2-5H3,(H,23,29)(H,25,26,27,28).
What are the key properties of 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide?
2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 435.43 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 162566142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).