4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid

C11H14N4O3 — CID 86641079

IUPAC4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid
SMILESNc1ccc(C(=O)N2CCN(C(=O)O)CC2)cn1
InChIInChI=1S/C11H14N4O3/c12-9-2-1-8(7-13-9)10(16)14-3-5-15(6-4-14)11(17)18/h1-2,7H,3-6H2,(H2,12,13)(H,17,18)
InChIKeyYRPZKNJNGYPXEG-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.10
Rot. Bonds1

About 4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid

4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid (PubChem CID 86641079) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid
PubChem CID86641079
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid
SMILESNc1ccc(C(=O)N2CCN(C(=O)O)CC2)cn1
InChIInChI=1S/C11H14N4O3/c12-9-2-1-8(7-13-9)10(16)14-3-5-15(6-4-14)11(17)18/h1-2,7H,3-6H2,(H2,12,13)(H,17,18)
InChIKeyYRPZKNJNGYPXEG-UHFFFAOYSA-N
XLogP0.10
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 68729434
(6-amino-3-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63162100
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
2-[4-(6-aminopyridine-3-carbonyl)piperazin-1-yl]-N-ethylacetamide
CID 72857433
[4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 134700221
6-aminopyridine-3-carboxylic acid;ethane
CID 142242146
(6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 141132994
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628622
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-amino-3-pyridinyl)methanone
CID 55037357
(6-amino-3-pyridinyl)-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]methanone
CID 140876648
(6-amino-3-pyridinyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725486

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid (CID 86641079) is 4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid is Nc1ccc(C(=O)N2CCN(C(=O)O)CC2)cn1.
What is the InChIKey of 4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid?
The InChIKey is YRPZKNJNGYPXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-9-2-1-8(7-13-9)10(16)14-3-5-15(6-4-14)11(17)18/h1-2,7H,3-6H2,(H2,12,13)(H,17,18).
What are the key properties of 4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid?
4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 86641079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).