2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid

C12H13N3O4 — CID 83193579

IUPAC2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESO=C1CC(C(=O)NCc2cc(C(=O)O)ccn2)CN1
InChIInChI=1S/C12H13N3O4/c16-10-4-8(5-14-10)11(17)15-6-9-3-7(12(18)19)1-2-13-9/h1-3,8H,4-6H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyOXDNVWORLLBINT-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.47
Rot. Bonds4

About 2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid

2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 83193579) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID83193579
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESO=C1CC(C(=O)NCc2cc(C(=O)O)ccn2)CN1
InChIInChI=1S/C12H13N3O4/c16-10-4-8(5-14-10)11(17)15-6-9-3-7(12(18)19)1-2-13-9/h1-3,8H,4-6H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyOXDNVWORLLBINT-UHFFFAOYSA-N
XLogP-0.47
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887
2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 107437307
2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324081
2-[[(3-aminocyclohexanecarbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324803
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78983445
5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78982237
N-[(6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983299
2-[(thiolan-3-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 103064162
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 78983105
2-[(cycloheptylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325102
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid (CID 83193579) is 2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid is O=C1CC(C(=O)NCc2cc(C(=O)O)ccn2)CN1.
What is the InChIKey of 2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is OXDNVWORLLBINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-10-4-8(5-14-10)11(17)15-6-9-3-7(12(18)19)1-2-13-9/h1-3,8H,4-6H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 83193579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).