N-(3-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

C20H20ClN5O4 — CID 91810081

IUPACN-(3-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
SMILESCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccc(C)c(Cl)c4)c2=O)CCCC3)no1
InChIInChI=1S/C20H20ClN5O4/c1-11-6-7-13(9-14(11)21)23-16(27)10-26-19(28)17(18-22-12(2)30-24-18)15-5-3-4-8-25(15)20(26)29/h6-7,9H,3-5,8,10H2,1-2H3,(H,23,27)
InChIKeyMRNUHJCFQDIOQL-UHFFFAOYSA-N
MW429.86 g/mol
LogP2.31
Rot. Bonds4

About N-(3-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

N-(3-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 (PubChem CID 91810081) has the molecular formula C20H20ClN5O4 and a molecular weight of 429.86 g/mol. Its IUPAC name is N-(3-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.

Molecular Properties

Compound NameN-(3-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
PubChem CID91810081
Molecular FormulaC20H20ClN5O4
Molecular Weight429.86 g/mol
Exact Mass429.12
IUPAC NameN-(3-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
SMILESCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccc(C)c(Cl)c4)c2=O)CCCC3)no1
InChIInChI=1S/C20H20ClN5O4/c1-11-6-7-13(9-14(11)21)23-16(27)10-26-19(28)17(18-22-12(2)30-24-18)15-5-3-4-8-25(15)20(26)29/h6-7,9H,3-5,8,10H2,1-2H3,(H,23,27)
InChIKeyMRNUHJCFQDIOQL-UHFFFAOYSA-N
XLogP2.31
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-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?
The IUPAC name of N-(3-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 91810081) is N-(3-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.
What is the SMILES notation for N-(3-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?
The canonical SMILES for N-(3-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 is Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccc(C)c(Cl)c4)c2=O)CCCC3)no1.
What is the InChIKey of N-(3-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?
The InChIKey is MRNUHJCFQDIOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O4/c1-11-6-7-13(9-14(11)21)23-16(27)10-26-19(28)17(18-22-12(2)30-24-18)15-5-3-4-8-25(15)20(26)29/h6-7,9H,3-5,8,10H2,1-2H3,(H,23,27).
What are the key properties of N-(3-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?
N-(3-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 has a molecular weight of 429.86 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-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 is sourced from PubChem (CID 91810081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).