N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide

C20H28N4O3 — CID 172660059

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2c(C)ccn(CCC(C)C)c2=O)c(=O)n1
InChIInChI=1S/C20H28N4O3/c1-13(2)6-9-23-10-7-14(3)17(19(23)26)18(25)21-8-11-24-16(5)12-15(4)22-20(24)27/h7,10,12-13H,6,8-9,11H2,1-5H3,(H,21,25)
InChIKeyIMTRHUAHFHPTQB-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.81
Rot. Bonds7

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (PubChem CID 172660059) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
PubChem CID172660059
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2c(C)ccn(CCC(C)C)c2=O)c(=O)n1
InChIInChI=1S/C20H28N4O3/c1-13(2)6-9-23-10-7-14(3)17(19(23)26)18(25)21-8-11-24-16(5)12-15(4)22-20(24)27/h7,10,12-13H,6,8-9,11H2,1-5H3,(H,21,25)
InChIKeyIMTRHUAHFHPTQB-UHFFFAOYSA-N
XLogP1.81
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (CID 172660059) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is Cc1cc(C)n(CCNC(=O)c2c(C)ccn(CCC(C)C)c2=O)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The InChIKey is IMTRHUAHFHPTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-13(2)6-9-23-10-7-14(3)17(19(23)26)18(25)21-8-11-24-16(5)12-15(4)22-20(24)27/h7,10,12-13H,6,8-9,11H2,1-5H3,(H,21,25).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172660059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).