methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate

C12H16N4O3 — CID 79099458

IUPACmethyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(C(N)=O)nn2)CC1
InChIInChI=1S/C12H16N4O3/c1-19-12(18)8-4-6-16(7-5-8)10-3-2-9(11(13)17)14-15-10/h2-3,8H,4-7H2,1H3,(H2,13,17)
InChIKeyZWJWCOPEKPEOIU-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.04
Rot. Bonds3

About methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate

methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate (PubChem CID 79099458) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
PubChem CID79099458
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Namemethyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(C(N)=O)nn2)CC1
InChIInChI=1S/C12H16N4O3/c1-19-12(18)8-4-6-16(7-5-8)10-3-2-9(11(13)17)14-15-10/h2-3,8H,4-7H2,1H3,(H2,13,17)
InChIKeyZWJWCOPEKPEOIU-UHFFFAOYSA-N
XLogP-0.04
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(3,3,3-TRIFLUORO-2-METHYL-2-TRIFLUOROMETHYLPROPIONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11442719
6-[Cyclobutyl(methyl)amino]pyridazine-3-carboxamide
CID 75377045
3-Pyridazinecarboxylic acid, 6-morpholino-, 2-(2-carboxy-1-methylethylidene)hydrazide, ethyl ester
CID 13382920
N-(2-cyclopropylethyl)-6-[4-[(Z)-4,4,4-trifluorobut-2-enoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 71521268
6-(2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-N-methylpyridazine-3-carboxamide
CID 75375754
N-methyl-6-(piperazin-1-yl)pyridazine-3-carboxamide dihydrochloride
CID 165943092
Ethyl 1-(6-(pyrrolidin-1-yl)pyridazine-3-carbonyl)piperidine-3-carboxylate
CID 71778467
Ethyl 4-(6-(pyrrolidin-1-yl)pyridazine-3-carbonyl)piperazine-1-carboxylate
CID 71778468
6-(2,2-dimethylmorpholin-4-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 56793169
6-(6-Oxa-9-azaspiro[4.5]decan-9-yl)pyridazine-3-carboxamide
CID 71847473
6-[4-(2-Methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 71970531
6-(1,3,3a,4,7,7a-Hexahydroisoindol-2-yl)pyridazine-3-carboxamide
CID 75375449

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate (CID 79099458) is methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2ccc(C(N)=O)nn2)CC1.
What is the InChIKey of methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate?
The InChIKey is ZWJWCOPEKPEOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-19-12(18)8-4-6-16(7-5-8)10-3-2-9(11(13)17)14-15-10/h2-3,8H,4-7H2,1H3,(H2,13,17).
What are the key properties of methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate?
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate has a molecular weight of 264.28 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate is sourced from PubChem (CID 79099458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).