ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate

C16H24N6O3 — CID 113043558

IUPACethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(NC(=O)NC3CC3)nn2)CC1
InChIInChI=1S/C16H24N6O3/c1-2-25-16(24)22-9-7-12(8-10-22)17-13-5-6-14(21-20-13)19-15(23)18-11-3-4-11/h5-6,11-12H,2-4,7-10H2,1H3,(H,17,20)(H2,18,19,21,23)
InChIKeyQGDJNBMASBYZHP-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.79
Rot. Bonds5

About ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate

ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate (PubChem CID 113043558) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate
PubChem CID113043558
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Nameethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(NC(=O)NC3CC3)nn2)CC1
InChIInChI=1S/C16H24N6O3/c1-2-25-16(24)22-9-7-12(8-10-22)17-13-5-6-14(21-20-13)19-15(23)18-11-3-4-11/h5-6,11-12H,2-4,7-10H2,1H3,(H,17,20)(H2,18,19,21,23)
InChIKeyQGDJNBMASBYZHP-UHFFFAOYSA-N
XLogP1.79
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[[6-[3-(dimethylamino)propylcarbamoyl]pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 109115992
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
ethyl 4-[[6-(benzylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 109117873
ethyl 4-[(2,6-dichloro-4-pyridinyl)carbamoylamino]piperidine-1-carboxylate
CID 23876750
ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 3865225
ethyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]piperidine-1-carboxylate
CID 112939342
ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108865690
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
CID 47103610
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate (CID 113043558) is ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc(NC(=O)NC3CC3)nn2)CC1.
What is the InChIKey of ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate?
The InChIKey is QGDJNBMASBYZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-2-25-16(24)22-9-7-12(8-10-22)17-13-5-6-14(21-20-13)19-15(23)18-11-3-4-11/h5-6,11-12H,2-4,7-10H2,1H3,(H,17,20)(H2,18,19,21,23).
What are the key properties of ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate has a molecular weight of 348.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113043558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).