N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide

C23H20N4O3 — CID 134318102

IUPACN-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2cc(-c3cnn(C)c3)c(Oc3ccccc3)cc2=O)c1
InChIInChI=1S/C23H20N4O3/c1-16(28)25-18-7-6-8-19(11-18)27-15-21(17-13-24-26(2)14-17)22(12-23(27)29)30-20-9-4-3-5-10-20/h3-15H,1-2H3,(H,25,28)
InChIKeyILVMXXCMMGTNFJ-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.99
Rot. Bonds5

About N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide

N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide (PubChem CID 134318102) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide
PubChem CID134318102
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2cc(-c3cnn(C)c3)c(Oc3ccccc3)cc2=O)c1
InChIInChI=1S/C23H20N4O3/c1-16(28)25-18-7-6-8-19(11-18)27-15-21(17-13-24-26(2)14-17)22(12-23(27)29)30-20-9-4-3-5-10-20/h3-15H,1-2H3,(H,25,28)
InChIKeyILVMXXCMMGTNFJ-UHFFFAOYSA-N
XLogP3.99
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide (CID 134318102) is N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide is CC(=O)Nc1cccc(-n2cc(-c3cnn(C)c3)c(Oc3ccccc3)cc2=O)c1.
What is the InChIKey of N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide?
The InChIKey is ILVMXXCMMGTNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-16(28)25-18-7-6-8-19(11-18)27-15-21(17-13-24-26(2)14-17)22(12-23(27)29)30-20-9-4-3-5-10-20/h3-15H,1-2H3,(H,25,28).
What are the key properties of N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide?
N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide has a molecular weight of 400.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-4-phenoxy-1-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 134318102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).