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

C11H15ClN4O2 — CID 91243111

IUPAC4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNc2ccc(Cl)nn2)CC1
InChIInChI=1S/C11H15ClN4O2/c12-9-1-2-10(15-14-9)13-7-8-3-5-16(6-4-8)11(17)18/h1-2,8H,3-7H2,(H,13,15)(H,17,18)
InChIKeyRYMJNFHFCQLZAF-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.93
Rot. Bonds3

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

4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 91243111) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID91243111
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNc2ccc(Cl)nn2)CC1
InChIInChI=1S/C11H15ClN4O2/c12-9-1-2-10(15-14-9)13-7-8-3-5-16(6-4-8)11(17)18/h1-2,8H,3-7H2,(H,13,15)(H,17,18)
InChIKeyRYMJNFHFCQLZAF-UHFFFAOYSA-N
XLogP1.93
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(6-chloropyrimidin-4-yl)amino]methyl]piperidine-1-carboxylic acid
CID 87133565
6-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
CID 60856462
6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine
CID 91536558
6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridazin-3-amine
CID 131048743
4-[[[5-(4-methylsulfonylphenyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylic acid
CID 68862512
4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid
CID 90746777
N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine
CID 90802730
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 22135686
3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid
CID 117102894
tert-butyl 4-[[(6-chloropyridazin-3-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 142582601
4-[(2S)-2-[(5-chloro-2-pyridinyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 174991980

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid (CID 91243111) is 4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CNc2ccc(Cl)nn2)CC1.
What is the InChIKey of 4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is RYMJNFHFCQLZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-9-1-2-10(15-14-9)13-7-8-3-5-16(6-4-8)11(17)18/h1-2,8H,3-7H2,(H,13,15)(H,17,18).
What are the key properties of 4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid?
4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 270.72 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 91243111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).