3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide

C19H16N6O3 — CID 91794923

IUPAC3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCCc2nc(-c3ccccn3)no2)c2ccccc2c1=O
InChIInChI=1S/C19H16N6O3/c1-25-19(27)13-7-3-2-6-12(13)16(23-25)18(26)21-11-9-15-22-17(24-28-15)14-8-4-5-10-20-14/h2-8,10H,9,11H2,1H3,(H,21,26)
InChIKeyCDGFCNUKKHPZRC-UHFFFAOYSA-N
MW376.38 g/mol
LogP1.35
Rot. Bonds5

About 3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide

3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide (PubChem CID 91794923) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide
PubChem CID91794923
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCCc2nc(-c3ccccn3)no2)c2ccccc2c1=O
InChIInChI=1S/C19H16N6O3/c1-25-19(27)13-7-3-2-6-12(13)16(23-25)18(26)21-11-9-15-22-17(24-28-15)14-8-4-5-10-20-14/h2-8,10H,9,11H2,1H3,(H,21,26)
InChIKeyCDGFCNUKKHPZRC-UHFFFAOYSA-N
XLogP1.35
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-2-carboxamide
CID 77082714
N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 91766111
(3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 126424696
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 31526897
2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 91796955
2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide
CID 91775954
3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide
CID 86284289
N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 77096076
4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide
CID 170504386
N-[2-(2,6-difluorophenyl)ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 87006930
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 166622994
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide (CID 91794923) is 3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide is Cn1nc(C(=O)NCCc2nc(-c3ccccn3)no2)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide?
The InChIKey is CDGFCNUKKHPZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-25-19(27)13-7-3-2-6-12(13)16(23-25)18(26)21-11-9-15-22-17(24-28-15)14-8-4-5-10-20-14/h2-8,10H,9,11H2,1H3,(H,21,26).
What are the key properties of 3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide?
3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide is sourced from PubChem (CID 91794923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).