methyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate

C13H18N2O3 — CID 66844781

IUPACmethyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate
SMILESCNc1cc(C(=O)OC)cn(C2CCCC2)c1=O
InChIInChI=1S/C13H18N2O3/c1-14-11-7-9(13(17)18-2)8-15(12(11)16)10-5-3-4-6-10/h7-8,10,14H,3-6H2,1-2H3
InChIKeyWTNCLVGYSUDHSE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.79
Rot. Bonds3

About methyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate

methyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate (PubChem CID 66844781) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate
PubChem CID66844781
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate
SMILESCNc1cc(C(=O)OC)cn(C2CCCC2)c1=O
InChIInChI=1S/C13H18N2O3/c1-14-11-7-9(13(17)18-2)8-15(12(11)16)10-5-3-4-6-10/h7-8,10,14H,3-6H2,1-2H3
InChIKeyWTNCLVGYSUDHSE-UHFFFAOYSA-N
XLogP1.79
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate (CID 66844781) is methyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate is CNc1cc(C(=O)OC)cn(C2CCCC2)c1=O.
What is the InChIKey of methyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate?
The InChIKey is WTNCLVGYSUDHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-11-7-9(13(17)18-2)8-15(12(11)16)10-5-3-4-6-10/h7-8,10,14H,3-6H2,1-2H3.
What are the key properties of methyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate?
methyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 66844781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).