2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

C20H21N5O2 — CID 17460529

IUPAC2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc(N3CCCC3)nc2)c2ccccc2c1=O
InChIInChI=1S/C20H21N5O2/c1-24-20(27)16-7-3-2-6-15(16)17(23-24)12-19(26)22-14-8-9-18(21-13-14)25-10-4-5-11-25/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,22,26)
InChIKeyRWQDZXQOCGRPDA-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.11
Rot. Bonds4

About 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (PubChem CID 17460529) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
PubChem CID17460529
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc(N3CCCC3)nc2)c2ccccc2c1=O
InChIInChI=1S/C20H21N5O2/c1-24-20(27)16-7-3-2-6-15(16)17(23-24)12-19(26)22-14-8-9-18(21-13-14)25-10-4-5-11-25/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,22,26)
InChIKeyRWQDZXQOCGRPDA-UHFFFAOYSA-N
XLogP2.11
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17321943
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 7578327
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55457066
2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 113009839
N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71552342
N-(1,3-benzoxazol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71552259
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 9205666
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide
CID 51132977
N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide
CID 55796721
N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17122264
N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71890002

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (CID 17460529) is 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide is Cn1nc(CC(=O)Nc2ccc(N3CCCC3)nc2)c2ccccc2c1=O.
What is the InChIKey of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The InChIKey is RWQDZXQOCGRPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24-20(27)16-7-3-2-6-15(16)17(23-24)12-19(26)22-14-8-9-18(21-13-14)25-10-4-5-11-25/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,22,26).
What are the key properties of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 17460529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).