5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid

C13H17N3O3 — CID 170861345

IUPAC5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid
SMILESCN1CCN(CC(=O)c2ccc(C(=O)O)nc2)CC1
InChIInChI=1S/C13H17N3O3/c1-15-4-6-16(7-5-15)9-12(17)10-2-3-11(13(18)19)14-8-10/h2-3,8H,4-7,9H2,1H3,(H,18,19)
InChIKeySVIKMQICLWZQDK-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.21
Rot. Bonds4

About 5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid

5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid (PubChem CID 170861345) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid
PubChem CID170861345
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid
SMILESCN1CCN(CC(=O)c2ccc(C(=O)O)nc2)CC1
InChIInChI=1S/C13H17N3O3/c1-15-4-6-16(7-5-15)9-12(17)10-2-3-11(13(18)19)14-8-10/h2-3,8H,4-7,9H2,1H3,(H,18,19)
InChIKeySVIKMQICLWZQDK-UHFFFAOYSA-N
XLogP0.21
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 82052175
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
3-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 170861612
2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone
CID 170861790
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 14852210
2-(4-methylpiperazin-1-yl)-1-(4-phenylsulfanylphenyl)ethanone;dihydrochloride
CID 44723853
pyridine-2,5-dicarboxylic acid
CID 158970171
1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861605
5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 107164989
[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl] trifluoromethanesulfonate
CID 170861800
2-amino-5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pyridine-3-carboxamide
CID 126675400
1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861975

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid (CID 170861345) is 5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid is CN1CCN(CC(=O)c2ccc(C(=O)O)nc2)CC1.
What is the InChIKey of 5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid?
The InChIKey is SVIKMQICLWZQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-15-4-6-16(7-5-15)9-12(17)10-2-3-11(13(18)19)14-8-10/h2-3,8H,4-7,9H2,1H3,(H,18,19).
What are the key properties of 5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid?
5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylpiperazin-1-yl)acetyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 170861345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).