ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate

C14H18N2O4 — CID 158862567

IUPACethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)NCC(=O)C(C)C)cn1
InChIInChI=1S/C14H18N2O4/c1-4-20-14(19)11-6-5-10(7-15-11)13(18)16-8-12(17)9(2)3/h5-7,9H,4,8H2,1-3H3,(H,16,18)
InChIKeyWGWRDZQWRWADDR-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.21
Rot. Bonds6

About ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate

ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 158862567) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate
PubChem CID158862567
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Nameethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)NCC(=O)C(C)C)cn1
InChIInChI=1S/C14H18N2O4/c1-4-20-14(19)11-6-5-10(7-15-11)13(18)16-8-12(17)9(2)3/h5-7,9H,4,8H2,1-3H3,(H,16,18)
InChIKeyWGWRDZQWRWADDR-UHFFFAOYSA-N
XLogP1.21
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
5-O-[(2S)-1-ethoxy-1-oxopropan-2-yl] 2-O-[(2R)-1-ethoxy-1-oxopropan-2-yl] pyridine-2,5-dicarboxylate
CID 6999262
ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928116
ethyl 5-(2-aminopropyl)pyridine-2-carboxylate
CID 15067117
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
CID 114134244
methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate
CID 122554528
ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928247
5-N-propylpyridine-2,5-dicarboxamide
CID 47460537
bis(1-oxo-1-propan-2-yloxypropan-2-yl) pyridine-2,5-dicarboxylate
CID 14210543
propan-2-yl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 67782879
ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614932

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate (CID 158862567) is ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate is CCOC(=O)c1ccc(C(=O)NCC(=O)C(C)C)cn1.
What is the InChIKey of ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is WGWRDZQWRWADDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-4-20-14(19)11-6-5-10(7-15-11)13(18)16-8-12(17)9(2)3/h5-7,9H,4,8H2,1-3H3,(H,16,18).
What are the key properties of ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate?
ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 158862567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).