N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide

C18H18N4O2 — CID 135355345

IUPACN-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(-c2cn(C)c(=O)cc2-c2ccccc2)cn1
InChIInChI=1S/C18H18N4O2/c1-19-17(23)12-22-10-14(9-20-22)16-11-21(2)18(24)8-15(16)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,23)
InChIKeyWXCXYOONGOSRNC-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.66
Rot. Bonds4

About N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide

N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide (PubChem CID 135355345) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide
PubChem CID135355345
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(-c2cn(C)c(=O)cc2-c2ccccc2)cn1
InChIInChI=1S/C18H18N4O2/c1-19-17(23)12-22-10-14(9-20-22)16-11-21(2)18(24)8-15(16)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,23)
InChIKeyWXCXYOONGOSRNC-UHFFFAOYSA-N
XLogP1.66
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide (CID 135355345) is N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide is CNC(=O)Cn1cc(-c2cn(C)c(=O)cc2-c2ccccc2)cn1.
What is the InChIKey of N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide?
The InChIKey is WXCXYOONGOSRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-19-17(23)12-22-10-14(9-20-22)16-11-21(2)18(24)8-15(16)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,23).
What are the key properties of N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide?
N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 135355345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).