2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid

C22H34N2O4 — CID 69472636

IUPAC2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid
SMILESCCc1c(C)cc(C(=O)NC2(CC(=O)O)CCCCC2)c(=O)n1CCC(C)C
InChIInChI=1S/C22H34N2O4/c1-5-18-16(4)13-17(21(28)24(18)12-9-15(2)3)20(27)23-22(14-19(25)26)10-7-6-8-11-22/h13,15H,5-12,14H2,1-4H3,(H,23,27)(H,25,26)
InChIKeyKSGZPFXMMMOEBK-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.67
Rot. Bonds8

About 2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid

2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid (PubChem CID 69472636) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid
PubChem CID69472636
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid
SMILESCCc1c(C)cc(C(=O)NC2(CC(=O)O)CCCCC2)c(=O)n1CCC(C)C
InChIInChI=1S/C22H34N2O4/c1-5-18-16(4)13-17(21(28)24(18)12-9-15(2)3)20(27)23-22(14-19(25)26)10-7-6-8-11-22/h13,15H,5-12,14H2,1-4H3,(H,23,27)(H,25,26)
InChIKeyKSGZPFXMMMOEBK-UHFFFAOYSA-N
XLogP3.67
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid (CID 69472636) is 2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid is CCc1c(C)cc(C(=O)NC2(CC(=O)O)CCCCC2)c(=O)n1CCC(C)C.
What is the InChIKey of 2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid?
The InChIKey is KSGZPFXMMMOEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-5-18-16(4)13-17(21(28)24(18)12-9-15(2)3)20(27)23-22(14-19(25)26)10-7-6-8-11-22/h13,15H,5-12,14H2,1-4H3,(H,23,27)(H,25,26).
What are the key properties of 2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid?
2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid has a molecular weight of 390.52 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 69472636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).