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

C18H26N2O4 — CID 69475721

IUPAC2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)NC2CCCC2C(=O)O)c1=O
InChIInChI=1S/C18H26N2O4/c1-4-5-9-20-12(3)11(2)10-14(17(20)22)16(21)19-15-8-6-7-13(15)18(23)24/h10,13,15H,4-9H2,1-3H3,(H,19,21)(H,23,24)
InChIKeyUAOWNYJBRFTEDG-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.25
Rot. Bonds6

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

2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 69475721) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID69475721
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)NC2CCCC2C(=O)O)c1=O
InChIInChI=1S/C18H26N2O4/c1-4-5-9-20-12(3)11(2)10-14(17(20)22)16(21)19-15-8-6-7-13(15)18(23)24/h10,13,15H,4-9H2,1-3H3,(H,19,21)(H,23,24)
InChIKeyUAOWNYJBRFTEDG-UHFFFAOYSA-N
XLogP2.25
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.25
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]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 69475721) is 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is CCCCn1c(C)c(C)cc(C(=O)NC2CCCC2C(=O)O)c1=O.
What is the InChIKey of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is UAOWNYJBRFTEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-5-9-20-12(3)11(2)10-14(17(20)22)16(21)19-15-8-6-7-13(15)18(23)24/h10,13,15H,4-9H2,1-3H3,(H,19,21)(H,23,24).
What are the key properties of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 2.25, 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 69475721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).