4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid

C10H13IN4O2 — CID 172785569

IUPAC4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ccc(I)nn2)CC1
InChIInChI=1S/C10H13IN4O2/c11-8-1-2-9(14-13-8)12-7-3-5-15(6-4-7)10(16)17/h1-2,7H,3-6H2,(H,12,14)(H,16,17)
InChIKeyOVPNXYHXVMKFAM-UHFFFAOYSA-N
MW348.14 g/mol
LogP1.64
Rot. Bonds2

About 4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid

4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid (PubChem CID 172785569) has the molecular formula C10H13IN4O2 and a molecular weight of 348.14 g/mol. Its IUPAC name is 4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid
PubChem CID172785569
Molecular FormulaC10H13IN4O2
Molecular Weight348.14 g/mol
Exact Mass348.01
IUPAC Name4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ccc(I)nn2)CC1
InChIInChI=1S/C10H13IN4O2/c11-8-1-2-9(14-13-8)12-7-3-5-15(6-4-7)10(16)17/h1-2,7H,3-6H2,(H,12,14)(H,16,17)
InChIKeyOVPNXYHXVMKFAM-UHFFFAOYSA-N
XLogP1.64
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
CID 175425604
4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid
CID 154249318
4-(4-hydroxyanilino)piperidine-1-carboxylic acid
CID 118918090
ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 113043558
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56778575
4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid
CID 139925030
6-(cyclooctylamino)pyridazine-3-carboxylic acid
CID 60792420
4-(2-hydroxyanilino)piperidine-1-carboxylic acid
CID 22293852
(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 175114110
4-[6-(cyclopropylamino)-3-fluoro-2-pyridinyl]piperazine-1-carboxylic acid
CID 19102745
(5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
CID 56778576
N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 56802128

Frequently Asked Questions

What is the IUPAC name of 4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid (CID 172785569) is 4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid is O=C(O)N1CCC(Nc2ccc(I)nn2)CC1.
What is the InChIKey of 4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid?
The InChIKey is OVPNXYHXVMKFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN4O2/c11-8-1-2-9(14-13-8)12-7-3-5-15(6-4-7)10(16)17/h1-2,7H,3-6H2,(H,12,14)(H,16,17).
What are the key properties of 4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid?
4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid has a molecular weight of 348.14 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-iodopyridazin-3-yl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 172785569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).