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

C22H25N5O4 — CID 91890512

IUPACN-(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
SMILESCCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4cccc(C)c4C)c2=O)CCCC3)no1
InChIInChI=1S/C22H25N5O4/c1-4-18-24-20(25-31-18)19-16-10-5-6-11-26(16)22(30)27(21(19)29)12-17(28)23-15-9-7-8-13(2)14(15)3/h7-9H,4-6,10-12H2,1-3H3,(H,23,28)
InChIKeyQJYKFRVWEJPBGV-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.21
Rot. Bonds5

About 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

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 (PubChem CID 91890512) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID91890512
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-(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
SMILESCCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4cccc(C)c4C)c2=O)CCCC3)no1
InChIInChI=1S/C22H25N5O4/c1-4-18-24-20(25-31-18)19-16-10-5-6-11-26(16)22(30)27(21(19)29)12-17(28)23-15-9-7-8-13(2)14(15)3/h7-9H,4-6,10-12H2,1-3H3,(H,23,28)
InChIKeyQJYKFRVWEJPBGV-UHFFFAOYSA-N
XLogP2.21
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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-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
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
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-(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-(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
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
CID 91809773
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
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
N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 16956541

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4cccc(C)c4C)c2=O)CCCC3)no1.
What is the InChIKey of 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?
The InChIKey is QJYKFRVWEJPBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-4-18-24-20(25-31-18)19-16-10-5-6-11-26(16)22(30)27(21(19)29)12-17(28)23-15-9-7-8-13(2)14(15)3/h7-9H,4-6,10-12H2,1-3H3,(H,23,28).
What are the key properties of 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?
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 has a molecular weight of 423.47 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91890512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).