2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid

C12H15N3O3 — CID 114198904

IUPAC2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid
SMILESCN1CCC(NCc2ncccc2C(=O)O)C1=O
InChIInChI=1S/C12H15N3O3/c1-15-6-4-9(11(15)16)14-7-10-8(12(17)18)3-2-5-13-10/h2-3,5,9,14H,4,6-7H2,1H3,(H,17,18)
InChIKeyUJSWSWOBZDSBMW-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.10
Rot. Bonds4

About 2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid

2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid (PubChem CID 114198904) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid
PubChem CID114198904
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid
SMILESCN1CCC(NCc2ncccc2C(=O)O)C1=O
InChIInChI=1S/C12H15N3O3/c1-15-6-4-9(11(15)16)14-7-10-8(12(17)18)3-2-5-13-10/h2-3,5,9,14H,4,6-7H2,1H3,(H,17,18)
InChIKeyUJSWSWOBZDSBMW-UHFFFAOYSA-N
XLogP0.10
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 54738
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2,5-Dimethyl-1-[(pyridin-4-yl)methyl]-1H-pyrrole-3-carboxylic acid
CID 2736289
5-(Methylamino)pyridine-3-carboxylic acid
CID 2050103
5-(Dimethylamino)pyridine-3-carboxylic acid
CID 2050105
2-(((2-((2-(Dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid
CID 86346639
Kdm5-C70
CID 90094283
5-(1H-pyrrol-1-yl)pyridine-3-carboxylic acid
CID 2050101
2-Methylnicotinic acid
CID 643373
L-Nicotianine
CID 12313328

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid (CID 114198904) is 2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid is CN1CCC(NCc2ncccc2C(=O)O)C1=O.
What is the InChIKey of 2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid?
The InChIKey is UJSWSWOBZDSBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-15-6-4-9(11(15)16)14-7-10-8(12(17)18)3-2-5-13-10/h2-3,5,9,14H,4,6-7H2,1H3,(H,17,18).
What are the key properties of 2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid?
2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114198904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).