6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid

C14H21N3O2 — CID 62710173

IUPAC6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCCCN1CCN(c2nc(C)ccc2C(=O)O)CC1
InChIInChI=1S/C14H21N3O2/c1-3-6-16-7-9-17(10-8-16)13-12(14(18)19)5-4-11(2)15-13/h4-5H,3,6-10H2,1-2H3,(H,18,19)
InChIKeyGPCZKZWTQRIEEQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.62
Rot. Bonds4

About 6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid

6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid (PubChem CID 62710173) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid
PubChem CID62710173
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCCCN1CCN(c2nc(C)ccc2C(=O)O)CC1
InChIInChI=1S/C14H21N3O2/c1-3-6-16-7-9-17(10-8-16)13-12(14(18)19)5-4-11(2)15-13/h4-5H,3,6-10H2,1-2H3,(H,18,19)
InChIKeyGPCZKZWTQRIEEQ-UHFFFAOYSA-N
XLogP1.62
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nalidixic Acid
CID 4421
6-(Dimethylamino)-3-pyridinecarboxylic acid
CID 99209
2-(2,5-Dimethylpyrrol-1-yl)pyridine-3-carboxylic acid
CID 63653569
6-[Methyl(propyl)amino]pyridine-3-carboxylic acid
CID 43271548
2-Amino-6-methylpyridine-3-carboxylic acid
CID 2734432
2-(Piperidin-1-yl)pyridine-3-carboxylic acid
CID 2794673
Ethyl 5-cyano-2-(diethylamino)-6-methylnicotinate
CID 2795942
6-(Diethylamino)pyridine-3-carboxylic acid
CID 16772244
6-Amino-2-ethylpyridine-3-carboxylic acid
CID 22019116
6-Amino-2-methylnicotinic acid
CID 28875529
4-[4-[(4,6-Dimethyl-2-pyridinyl)carbamothioyl]piperazin-1-yl]benzoic acid
CID 49852714
2-(4-Methylpiperazin-1-yl)nicotinic acid
CID 217029

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid (CID 62710173) is 6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid is CCCN1CCN(c2nc(C)ccc2C(=O)O)CC1.
What is the InChIKey of 6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is GPCZKZWTQRIEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-6-16-7-9-17(10-8-16)13-12(14(18)19)5-4-11(2)15-13/h4-5H,3,6-10H2,1-2H3,(H,18,19).
What are the key properties of 6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid?
6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-propylpiperazin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 62710173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).