1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C20H30N2O4 — CID 70691826

IUPAC1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCCn1c(CC)c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c1=O
InChIInChI=1S/C20H30N2O4/c1-4-6-12-22-16(5-2)14(3)13-15(18(22)24)17(23)21-20(19(25)26)10-8-7-9-11-20/h13H,4-12H2,1-3H3,(H,21,23)(H,25,26)
InChIKeyYFGAGFNYHCKTGR-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.04
Rot. Bonds7

About 1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 70691826) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID70691826
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCCn1c(CC)c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c1=O
InChIInChI=1S/C20H30N2O4/c1-4-6-12-22-16(5-2)14(3)13-15(18(22)24)17(23)21-20(19(25)26)10-8-7-9-11-20/h13H,4-12H2,1-3H3,(H,21,23)(H,25,26)
InChIKeyYFGAGFNYHCKTGR-UHFFFAOYSA-N
XLogP3.04
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 70691826) is 1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CCCCn1c(CC)c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c1=O.
What is the InChIKey of 1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is YFGAGFNYHCKTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-4-6-12-22-16(5-2)14(3)13-15(18(22)24)17(23)21-20(19(25)26)10-8-7-9-11-20/h13H,4-12H2,1-3H3,(H,21,23)(H,25,26).
What are the key properties of 1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 362.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 70691826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).