methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate

C14H18N2O4 — CID 24609506

IUPACmethyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C14H18N2O4/c1-20-14(19)10-6-7-13(18)16(8-10)9-12(17)15-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,15,17)
InChIKeyPQMKFHKHDADSSV-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.69
Rot. Bonds4

About methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate

methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate (PubChem CID 24609506) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
PubChem CID24609506
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C14H18N2O4/c1-20-14(19)10-6-7-13(18)16(8-10)9-12(17)15-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,15,17)
InChIKeyPQMKFHKHDADSSV-UHFFFAOYSA-N
XLogP0.69
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate (CID 24609506) is methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(CC(=O)NC2CCCC2)c1.
What is the InChIKey of methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The InChIKey is PQMKFHKHDADSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-14(19)10-6-7-13(18)16(8-10)9-12(17)15-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,15,17).
What are the key properties of methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 24609506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).