5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid

C13H18N4O4 — CID 98032415

IUPAC5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCCOC(=O)N1CCN(c2ncc(N)cc2C(=O)O)CC1
InChIInChI=1S/C13H18N4O4/c1-2-21-13(20)17-5-3-16(4-6-17)11-10(12(18)19)7-9(14)8-15-11/h7-8H,2-6,14H2,1H3,(H,18,19)
InChIKeyFLAJBUKHUCGJEU-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.64
Rot. Bonds3

About 5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid

5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid (PubChem CID 98032415) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid
PubChem CID98032415
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCCOC(=O)N1CCN(c2ncc(N)cc2C(=O)O)CC1
InChIInChI=1S/C13H18N4O4/c1-2-21-13(20)17-5-3-16(4-6-17)11-10(12(18)19)7-9(14)8-15-11/h7-8H,2-6,14H2,1H3,(H,18,19)
InChIKeyFLAJBUKHUCGJEU-UHFFFAOYSA-N
XLogP0.64
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(5-amino-3-bromo-2-pyridinyl)piperazine-1-carboxylate
CID 107876726
5-amino-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53213917
5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53213920
ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate
CID 103633734
5-amino-2-(4-ethoxypiperidin-1-yl)pyridine-3-carboxamide
CID 61360162
ethyl 4-(3-bromo-5-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 84611937
3-(4-ethoxycarbonylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 107877070
4-(4-ethoxycarbonylpiperazin-1-yl)-2-methylbenzoic acid
CID 107877072
ethyl 4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 84574983
ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
CID 107876806
ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate
CID 107876783
ethyl 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazine-1-carboxylate
CID 108531691

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid (CID 98032415) is 5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid is CCOC(=O)N1CCN(c2ncc(N)cc2C(=O)O)CC1.
What is the InChIKey of 5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is FLAJBUKHUCGJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-2-21-13(20)17-5-3-16(4-6-17)11-10(12(18)19)7-9(14)8-15-11/h7-8H,2-6,14H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid?
5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 98032415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).