N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide

C21H24N4O4 — CID 20879909

IUPACN-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2cccnc21
InChIInChI=1S/C21H24N4O4/c1-14(2)10-12-24-20(27)15-7-6-11-22-19(15)25(21(24)28)13-18(26)23-16-8-4-5-9-17(16)29-3/h4-9,11,14H,10,12-13H2,1-3H3,(H,23,26)
InChIKeyHNPWXLNWCLOTMT-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.25
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide

N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide (PubChem CID 20879909) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide
PubChem CID20879909
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2cccnc21
InChIInChI=1S/C21H24N4O4/c1-14(2)10-12-24-20(27)15-7-6-11-22-19(15)25(21(24)28)13-18(26)23-16-8-4-5-9-17(16)29-3/h4-9,11,14H,10,12-13H2,1-3H3,(H,23,26)
InChIKeyHNPWXLNWCLOTMT-UHFFFAOYSA-N
XLogP2.25
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide (CID 20879909) is N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide is COc1ccccc1NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2cccnc21.
What is the InChIKey of N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide?
The InChIKey is HNPWXLNWCLOTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-14(2)10-12-24-20(27)15-7-6-11-22-19(15)25(21(24)28)13-18(26)23-16-8-4-5-9-17(16)29-3/h4-9,11,14H,10,12-13H2,1-3H3,(H,23,26).
What are the key properties of N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide?
N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide has a molecular weight of 396.45 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 20879909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).