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

C19H28N2O4 — CID 69472447

IUPAC2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)NC2CCCCC2C(=O)O)c1=O
InChIInChI=1S/C19H28N2O4/c1-4-5-10-21-13(3)12(2)11-15(18(21)23)17(22)20-16-9-7-6-8-14(16)19(24)25/h11,14,16H,4-10H2,1-3H3,(H,20,22)(H,24,25)
InChIKeyITJIUSWEVKHLAP-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.64
Rot. Bonds6

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

2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 69472447) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID69472447
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)NC2CCCCC2C(=O)O)c1=O
InChIInChI=1S/C19H28N2O4/c1-4-5-10-21-13(3)12(2)11-15(18(21)23)17(22)20-16-9-7-6-8-14(16)19(24)25/h11,14,16H,4-10H2,1-3H3,(H,20,22)(H,24,25)
InChIKeyITJIUSWEVKHLAP-UHFFFAOYSA-N
XLogP2.64
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 69472447) is 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CCCCn1c(C)c(C)cc(C(=O)NC2CCCCC2C(=O)O)c1=O.
What is the InChIKey of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ITJIUSWEVKHLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-4-5-10-21-13(3)12(2)11-15(18(21)23)17(22)20-16-9-7-6-8-14(16)19(24)25/h11,14,16H,4-10H2,1-3H3,(H,20,22)(H,24,25).
What are the key properties of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 348.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 69472447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).