2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid

C19H18N4O4 — CID 72856204

IUPAC2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid
SMILESCc1nn(CC(=O)N(C)C(C(=O)O)c2cccnc2)c(=O)c2ccccc12
InChIInChI=1S/C19H18N4O4/c1-12-14-7-3-4-8-15(14)18(25)23(21-12)11-16(24)22(2)17(19(26)27)13-6-5-9-20-10-13/h3-10,17H,11H2,1-2H3,(H,26,27)
InChIKeyFKJVWNHTRSLKES-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.38
Rot. Bonds5

About 2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid

2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid (PubChem CID 72856204) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid
PubChem CID72856204
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid
SMILESCc1nn(CC(=O)N(C)C(C(=O)O)c2cccnc2)c(=O)c2ccccc12
InChIInChI=1S/C19H18N4O4/c1-12-14-7-3-4-8-15(14)18(25)23(21-12)11-16(24)22(2)17(19(26)27)13-6-5-9-20-10-13/h3-10,17H,11H2,1-2H3,(H,26,27)
InChIKeyFKJVWNHTRSLKES-UHFFFAOYSA-N
XLogP1.38
TPSA105.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid?
The IUPAC name of 2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid (CID 72856204) is 2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid.
What is the SMILES notation for 2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid?
The canonical SMILES for 2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid is Cc1nn(CC(=O)N(C)C(C(=O)O)c2cccnc2)c(=O)c2ccccc12.
What is the InChIKey of 2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid?
The InChIKey is FKJVWNHTRSLKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-12-14-7-3-4-8-15(14)18(25)23(21-12)11-16(24)22(2)17(19(26)27)13-6-5-9-20-10-13/h3-10,17H,11H2,1-2H3,(H,26,27).
What are the key properties of 2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid?
2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid has a molecular weight of 366.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 72856204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).