2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide

C19H15N5O2S — CID 20876004

IUPAC2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)Nc1nccs1
InChIInChI=1S/C19H15N5O2S/c25-17(22-19-21-8-9-27-19)12-24-18(26)15-6-2-1-5-14(15)16(23-24)10-13-4-3-7-20-11-13/h1-9,11H,10,12H2,(H,21,22,25)
InChIKeyWVCKKOVVAHYIEP-UHFFFAOYSA-N
MW377.43 g/mol
LogP2.48
Rot. Bonds5

About 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 20876004) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID20876004
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)Nc1nccs1
InChIInChI=1S/C19H15N5O2S/c25-17(22-19-21-8-9-27-19)12-24-18(26)15-6-2-1-5-14(15)16(23-24)10-13-4-3-7-20-11-13/h1-9,11H,10,12H2,(H,21,22,25)
InChIKeyWVCKKOVVAHYIEP-UHFFFAOYSA-N
XLogP2.48
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
CID 20875995
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 20875983
methyl 6-[[2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetyl]amino]-1,3-benzodioxole-5-carboxylate
CID 20876010
2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one
CID 20875926
N-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
CID 20875976
2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide
CID 6622629
2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 122175769
N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 122175759
2-(4-benzyl-1-oxophthalazin-2-yl)acetamide
CID 39890759
(E)-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 121049481
N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-2-phenoxyacetamide
CID 121049579
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 20873124

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 20876004) is 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)Nc1nccs1.
What is the InChIKey of 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WVCKKOVVAHYIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c25-17(22-19-21-8-9-27-19)12-24-18(26)15-6-2-1-5-14(15)16(23-24)10-13-4-3-7-20-11-13/h1-9,11H,10,12H2,(H,21,22,25).
What are the key properties of 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 377.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 20876004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).