3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide

C22H24N4O3 — CID 51966517

IUPAC3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide
SMILESCCn1nc(C(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-2-26-21(27)19-10-4-3-9-18(19)20(24-26)22(28)25(15-17-8-6-12-29-17)14-16-7-5-11-23-13-16/h3-5,7,9-11,13,17H,2,6,8,12,14-15H2,1H3/t17-/m1/s1
InChIKeyHAKQOPQQTRYVOG-QGZVFWFLSA-N
MW392.46 g/mol
LogP2.63
Rot. Bonds6

About 3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide

3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide (PubChem CID 51966517) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide
PubChem CID51966517
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide
SMILESCCn1nc(C(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-2-26-21(27)19-10-4-3-9-18(19)20(24-26)22(28)25(15-17-8-6-12-29-17)14-16-7-5-11-23-13-16/h3-5,7,9-11,13,17H,2,6,8,12,14-15H2,1H3/t17-/m1/s1
InChIKeyHAKQOPQQTRYVOG-QGZVFWFLSA-N
XLogP2.63
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 55900275
3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 51121582
N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide
CID 94489587
2-oxo-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
CID 71890174
5-(methoxymethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 87028392
2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 99582902
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 55900273
3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 55900018
N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 55899400
1-tert-butyl-N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 55900542
4-(2-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 55899509
4-oxo-N-(oxolan-2-ylmethyl)-3-propan-2-yl-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide
CID 55389136

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide?
The IUPAC name of 3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide (CID 51966517) is 3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide is CCn1nc(C(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide?
The InChIKey is HAKQOPQQTRYVOG-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-26-21(27)19-10-4-3-9-18(19)20(24-26)22(28)25(15-17-8-6-12-29-17)14-16-7-5-11-23-13-16/h3-5,7,9-11,13,17H,2,6,8,12,14-15H2,1H3/t17-/m1/s1.
What are the key properties of 3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide?
3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 51966517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).