methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate

C12H15N3O3 — CID 78984051

IUPACmethyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(C(N)=O)cn2)C1
InChIInChI=1S/C12H15N3O3/c1-18-12(17)9-4-5-15(7-9)10-3-2-8(6-14-10)11(13)16/h2-3,6,9H,4-5,7H2,1H3,(H2,13,16)
InChIKeyPGXCCELBHBAGJP-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.18
Rot. Bonds3

About methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate

methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate (PubChem CID 78984051) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
PubChem CID78984051
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Namemethyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(C(N)=O)cn2)C1
InChIInChI=1S/C12H15N3O3/c1-18-12(17)9-4-5-15(7-9)10-3-2-8(6-14-10)11(13)16/h2-3,6,9H,4-5,7H2,1H3,(H2,13,16)
InChIKeyPGXCCELBHBAGJP-UHFFFAOYSA-N
XLogP0.18
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
CID 115538439
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 112627849
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 69360370
6-(3-aminoazetidin-1-yl)pyridine-3-carboxamide
CID 65250216
ethane;6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide
CID 170568898
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
CID 79099458
methyl (3S)-1-(5-bromo-6-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate
CID 154635467
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 143465750
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63903910
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 24657763

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate (CID 78984051) is methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(c2ccc(C(N)=O)cn2)C1.
What is the InChIKey of methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate?
The InChIKey is PGXCCELBHBAGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-12(17)9-4-5-15(7-9)10-3-2-8(6-14-10)11(13)16/h2-3,6,9H,4-5,7H2,1H3,(H2,13,16).
What are the key properties of methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate?
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 78984051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).