3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid

C12H16N4O3 — CID 113447866

IUPAC3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCN1CCN(C(=O)Nc2cccnc2C(=O)O)CC1
InChIInChI=1S/C12H16N4O3/c1-15-5-7-16(8-6-15)12(19)14-9-3-2-4-13-10(9)11(17)18/h2-4H,5-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyNPFDEJDVJOVZNE-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.56
Rot. Bonds2

About 3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid

3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 113447866) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID113447866
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCN1CCN(C(=O)Nc2cccnc2C(=O)O)CC1
InChIInChI=1S/C12H16N4O3/c1-15-5-7-16(8-6-15)12(19)14-9-3-2-4-13-10(9)11(17)18/h2-4H,5-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyNPFDEJDVJOVZNE-UHFFFAOYSA-N
XLogP0.56
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylpiperazin-1-yl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743816
3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 103536527
3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743147
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 61193391
3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid
CID 107228275
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
N-(2-hydroxyphenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 68992823
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
N-(3-bromo-2-methylphenyl)-4-methylpiperazine-1-carboxamide
CID 11507872

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid (CID 113447866) is 3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid is CN1CCN(C(=O)Nc2cccnc2C(=O)O)CC1.
What is the InChIKey of 3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is NPFDEJDVJOVZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-15-5-7-16(8-6-15)12(19)14-9-3-2-4-13-10(9)11(17)18/h2-4H,5-8H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid?
3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 113447866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).