6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid

C14H19N3O3 — CID 43453206

IUPAC6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid
SMILESCCN1CCN(C(=O)c2ccc(C(=O)O)c(C)n2)CC1
InChIInChI=1S/C14H19N3O3/c1-3-16-6-8-17(9-7-16)13(18)12-5-4-11(14(19)20)10(2)15-12/h4-5H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyFQOJMSYLDKCMQG-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.87
Rot. Bonds3

About 6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid

6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid (PubChem CID 43453206) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid
PubChem CID43453206
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid
SMILESCCN1CCN(C(=O)c2ccc(C(=O)O)c(C)n2)CC1
InChIInChI=1S/C14H19N3O3/c1-3-16-6-8-17(9-7-16)13(18)12-5-4-11(14(19)20)10(2)15-12/h4-5H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyFQOJMSYLDKCMQG-UHFFFAOYSA-N
XLogP0.87
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134004996
(6-bromo-5-fluoro-2-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 167714000
6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid
CID 112627134
6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid
CID 107405954
ethyl 4-[4-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109302562
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367301
6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid
CID 104691187
[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302552
ethyl 6-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carbonyl]-2-methylpyridine-3-carboxylate
CID 55600898
(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111739
[5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 63722502

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid (CID 43453206) is 6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid is CCN1CCN(C(=O)c2ccc(C(=O)O)c(C)n2)CC1.
What is the InChIKey of 6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid?
The InChIKey is FQOJMSYLDKCMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-16-6-8-17(9-7-16)13(18)12-5-4-11(14(19)20)10(2)15-12/h4-5H,3,6-9H2,1-2H3,(H,19,20).
What are the key properties of 6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid?
6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 43453206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).