methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate

C11H12N2O5 — CID 70432942

IUPACmethyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate
SMILESCOC(=O)CNC(=O)c1cnccc1C(=O)OC
InChIInChI=1S/C11H12N2O5/c1-17-9(14)6-13-10(15)8-5-12-4-3-7(8)11(16)18-2/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyOVTSPZXVVQRYFS-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.23
Rot. Bonds4

About methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate

methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate (PubChem CID 70432942) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate
PubChem CID70432942
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Namemethyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate
SMILESCOC(=O)CNC(=O)c1cnccc1C(=O)OC
InChIInChI=1S/C11H12N2O5/c1-17-9(14)6-13-10(15)8-5-12-4-3-7(8)11(16)18-2/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyOVTSPZXVVQRYFS-UHFFFAOYSA-N
XLogP-0.23
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-carbonochloridoylpyridine-4-carboxylate;hydrochloride
CID 88617430
3-N,4-N-diethylpyridine-3,4-dicarboxamide
CID 14527703
methyl 4-methylpyridine-3-carboxylate
CID 10877301
methyl 3-chloropyridine-4-carboxylate
CID 15324397
methyl 4-fluoropyridine-3-carboxylate
CID 46311150
methyl 4-(difluoromethyl)pyridine-3-carboxylate
CID 97181391
trimethyl 1-(4-methoxycarbonyl-3-pyridinyl)propane-1,1,3-tricarboxylate
CID 101445777
methyl 2-[[2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]benzoyl]amino]acetate
CID 23855602
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 531421
methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
CID 103871236
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
methyl 3-isocyanatopyridine-4-carboxylate
CID 46909403

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate (CID 70432942) is methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate is COC(=O)CNC(=O)c1cnccc1C(=O)OC.
What is the InChIKey of methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate?
The InChIKey is OVTSPZXVVQRYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c1-17-9(14)6-13-10(15)8-5-12-4-3-7(8)11(16)18-2/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate?
methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate has a molecular weight of 252.23 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate is sourced from PubChem (CID 70432942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).