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

C13H18N2O4 — CID 43041430

IUPACmethyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCCC(C)NC(=O)Cn1cc(C(=O)OC)ccc1=O
InChIInChI=1S/C13H18N2O4/c1-4-9(2)14-11(16)8-15-7-10(13(18)19-3)5-6-12(15)17/h5-7,9H,4,8H2,1-3H3,(H,14,16)
InChIKeyKSYXQHUPWIPQAD-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.55
Rot. Bonds5

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

methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate (PubChem CID 43041430) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
PubChem CID43041430
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCCC(C)NC(=O)Cn1cc(C(=O)OC)ccc1=O
InChIInChI=1S/C13H18N2O4/c1-4-9(2)14-11(16)8-15-7-10(13(18)19-3)5-6-12(15)17/h5-7,9H,4,8H2,1-3H3,(H,14,16)
InChIKeyKSYXQHUPWIPQAD-UHFFFAOYSA-N
XLogP0.55
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609499
methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609543
methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate
CID 78018913
N-[(2R)-butan-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467794
methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609506
1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 61489099
methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate
CID 24609516
4-O-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296484
methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 26068946
N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170604
methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609497
methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 17452795

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate (CID 43041430) is methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate is CCC(C)NC(=O)Cn1cc(C(=O)OC)ccc1=O.
What is the InChIKey of methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The InChIKey is KSYXQHUPWIPQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-9(2)14-11(16)8-15-7-10(13(18)19-3)5-6-12(15)17/h5-7,9H,4,8H2,1-3H3,(H,14,16).
What are the key properties of methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 43041430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).