N-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide

C22H23FN4O3 — CID 19104658

IUPACN-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide
SMILESCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)C(=O)N(C)c2cccc(F)c2)c1
InChIInChI=1S/C22H23FN4O3/c1-12(2)22(4)21(30)25-19(26-22)17-16(9-13(3)11-24-17)18(28)20(29)27(5)15-8-6-7-14(23)10-15/h6-12H,1-5H3,(H,25,26,30)
InChIKeySRRKDACYQIALJY-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.67
Rot. Bonds5

About N-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide

N-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide (PubChem CID 19104658) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide
PubChem CID19104658
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide
SMILESCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)C(=O)N(C)c2cccc(F)c2)c1
InChIInChI=1S/C22H23FN4O3/c1-12(2)22(4)21(30)25-19(26-22)17-16(9-13(3)11-24-17)18(28)20(29)27(5)15-8-6-7-14(23)10-15/h6-12H,1-5H3,(H,25,26,30)
InChIKeySRRKDACYQIALJY-UHFFFAOYSA-N
XLogP2.67
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide?
The IUPAC name of N-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide (CID 19104658) is N-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide?
The canonical SMILES for N-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide is Cc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)C(=O)N(C)c2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide?
The InChIKey is SRRKDACYQIALJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-12(2)22(4)21(30)25-19(26-22)17-16(9-13(3)11-24-17)18(28)20(29)27(5)15-8-6-7-14(23)10-15/h6-12H,1-5H3,(H,25,26,30).
What are the key properties of N-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide?
N-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide has a molecular weight of 410.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-methyl-2-[5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinyl]-2-oxoacetamide is sourced from PubChem (CID 19104658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).