methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate

C13H16N2O4 — CID 103717650

IUPACmethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2c[nH]c(C)cc2=O)C1
InChIInChI=1S/C13H16N2O4/c1-8-5-11(16)10(6-14-8)12(17)15-4-3-9(7-15)13(18)19-2/h5-6,9H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyNBMJABLIFGMWIU-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.32
Rot. Bonds2

About methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate

methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 103717650) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate
PubChem CID103717650
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2c[nH]c(C)cc2=O)C1
InChIInChI=1S/C13H16N2O4/c1-8-5-11(16)10(6-14-8)12(17)15-4-3-9(7-15)13(18)19-2/h5-6,9H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyNBMJABLIFGMWIU-UHFFFAOYSA-N
XLogP0.32
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 103717921
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 103946512
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
2-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
CID 103785634
methyl 1-(2-chloro-4-fluorobenzoyl)pyrrolidine-3-carboxylate
CID 112733669
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 70778695
5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 56915916
2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103804158
5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 127944288
5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696163
methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 78950884
methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
CID 79035876

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate (CID 103717650) is methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2c[nH]c(C)cc2=O)C1.
What is the InChIKey of methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is NBMJABLIFGMWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-5-11(16)10(6-14-8)12(17)15-4-3-9(7-15)13(18)19-2/h5-6,9H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate?
methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 103717650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).