2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide

C19H19N5O4 — CID 91809820

IUPAC2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide
SMILESCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccccc4)c2=O)CCCC3)no1
InChIInChI=1S/C19H19N5O4/c1-12-20-17(22-28-12)16-14-9-5-6-10-23(14)19(27)24(18(16)26)11-15(25)21-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H,21,25)
InChIKeyNYCKKHDBDZVJAA-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.34
Rot. Bonds4

About 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide

2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide (PubChem CID 91809820) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide
PubChem CID91809820
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide
SMILESCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccccc4)c2=O)CCCC3)no1
InChIInChI=1S/C19H19N5O4/c1-12-20-17(22-28-12)16-14-9-5-6-10-23(14)19(27)24(18(16)26)11-15(25)21-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H,21,25)
InChIKeyNYCKKHDBDZVJAA-UHFFFAOYSA-N
XLogP1.34
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-2-yl]-N-(4-methylphenyl)acetamide
CID 91809953
N-(3-chlorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-2-yl]acetamide
CID 91810076
N-(3,4-dimethylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]acetamide
CID 91809959
N-(3,4-dimethoxyphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]acetamide
CID 91810120
N-(2-chloro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]acetamide
CID 91810080
2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 91809993
2-benzyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-1,3-dione
CID 91890519
N-(2,3-dimethylphenyl)-2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]acetamide
CID 91890512
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 91890504
N-(2,4-difluorophenyl)-2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-2-yl]acetamide
CID 91810149
N-cyclopentyl-2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-2-yl]acetamide
CID 91809912
N-cyclohexyl-2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepin-2-yl]acetamide
CID 91809995

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide (CID 91809820) is 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide is Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccccc4)c2=O)CCCC3)no1.
What is the InChIKey of 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide?
The InChIKey is NYCKKHDBDZVJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-12-20-17(22-28-12)16-14-9-5-6-10-23(14)19(27)24(18(16)26)11-15(25)21-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H,21,25).
What are the key properties of 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide?
2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide has a molecular weight of 381.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]-N-phenylacetamide is sourced from PubChem (CID 91809820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).