2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid

C15H21N3O3 — CID 118420859

IUPAC2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
SMILESCCN1CCC[C@H](CNCc2cc(C(=O)O)ccn2)C1=O
InChIInChI=1S/C15H21N3O3/c1-2-18-7-3-4-12(14(18)19)9-16-10-13-8-11(15(20)21)5-6-17-13/h5-6,8,12,16H,2-4,7,9-10H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeySESICOAOPDFZFN-GFCCVEGCSA-N
MW291.35 g/mol
LogP1.13
Rot. Bonds6

About 2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid

2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid (PubChem CID 118420859) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
PubChem CID118420859
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
SMILESCCN1CCC[C@H](CNCc2cc(C(=O)O)ccn2)C1=O
InChIInChI=1S/C15H21N3O3/c1-2-18-7-3-4-12(14(18)19)9-16-10-13-8-11(15(20)21)5-6-17-13/h5-6,8,12,16H,2-4,7,9-10H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeySESICOAOPDFZFN-GFCCVEGCSA-N
XLogP1.13
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid (CID 118420859) is 2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid is CCN1CCC[C@H](CNCc2cc(C(=O)O)ccn2)C1=O.
What is the InChIKey of 2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid?
The InChIKey is SESICOAOPDFZFN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-18-7-3-4-12(14(18)19)9-16-10-13-8-11(15(20)21)5-6-17-13/h5-6,8,12,16H,2-4,7,9-10H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid?
2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 118420859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).