methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate

C16H18N4O4 — CID 124616870

IUPACmethyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1
InChIInChI=1S/C16H18N4O4/c1-23-16(22)11-8-13(24-10-11)15(21)18-12-4-3-7-20(9-12)14-5-2-6-17-19-14/h2,5-6,8,10,12H,3-4,7,9H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyBGFDQTVDWRADCW-LBPRGKRZSA-N
MW330.34 g/mol
LogP1.25
Rot. Bonds4

About methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate

methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate (PubChem CID 124616870) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate
PubChem CID124616870
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Namemethyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1
InChIInChI=1S/C16H18N4O4/c1-23-16(22)11-8-13(24-10-11)15(21)18-12-4-3-7-20(9-12)14-5-2-6-17-19-14/h2,5-6,8,10,12H,3-4,7,9H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyBGFDQTVDWRADCW-LBPRGKRZSA-N
XLogP1.25
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide
CID 124627039
4-hydroxy-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]naphthalene-2-carboxamide
CID 124882652
2-phenyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrazole-3-carboxamide
CID 124883211
6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide
CID 124734406
3-chloro-2-fluoro-4-methyl-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]benzamide
CID 124886342
3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride
CID 120872944
(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95331275
6-methyl-4-oxo-N-(1-pyridazin-3-ylpiperidin-3-yl)-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 126782285
2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide
CID 122137262
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]cyclopropane-1-carboxamide
CID 124859320
tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate
CID 118542685
N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide
CID 124741629

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate (CID 124616870) is methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate is COC(=O)c1coc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1.
What is the InChIKey of methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate?
The InChIKey is BGFDQTVDWRADCW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-23-16(22)11-8-13(24-10-11)15(21)18-12-4-3-7-20(9-12)14-5-2-6-17-19-14/h2,5-6,8,10,12H,3-4,7,9H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate?
methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]carbamoyl]furan-3-carboxylate is sourced from PubChem (CID 124616870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).