N-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide

C17H24N4O2 — CID 97482016

IUPACN-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@]12COC[C@H]1CN(CC1CCC1)C2)c1ccnnc1
InChIInChI=1S/C17H24N4O2/c22-16(14-4-5-19-20-6-14)18-10-17-11-21(7-13-2-1-3-13)8-15(17)9-23-12-17/h4-6,13,15H,1-3,7-12H2,(H,18,22)/t15-,17+/m1/s1
InChIKeySWTQAISVGHIGSU-WBVHZDCISA-N
MW316.40 g/mol
LogP0.95
Rot. Bonds5

About N-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide

N-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide (PubChem CID 97482016) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide
PubChem CID97482016
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@]12COC[C@H]1CN(CC1CCC1)C2)c1ccnnc1
InChIInChI=1S/C17H24N4O2/c22-16(14-4-5-19-20-6-14)18-10-17-11-21(7-13-2-1-3-13)8-15(17)9-23-12-17/h4-6,13,15H,1-3,7-12H2,(H,18,22)/t15-,17+/m1/s1
InChIKeySWTQAISVGHIGSU-WBVHZDCISA-N
XLogP0.95
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide with MolForge

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Related Compounds

N-[[(3aR,6aR)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide
CID 97484602
N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide
CID 97477807
N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide
CID 97476350
N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide
CID 124781595
N-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide
CID 97420736
N-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide
CID 124781236
N-[[(3aR,6aR)-5-methylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide
CID 97477503
N-[[(3aR,6aR)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155829976
N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 97420711
N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide
CID 97476840
N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide
CID 124782399
N-[[(3aR,6aR)-5-methylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide
CID 97420728

Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide (CID 97482016) is N-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide is O=C(NC[C@]12COC[C@H]1CN(CC1CCC1)C2)c1ccnnc1.
What is the InChIKey of N-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is SWTQAISVGHIGSU-WBVHZDCISA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16(14-4-5-19-20-6-14)18-10-17-11-21(7-13-2-1-3-13)8-15(17)9-23-12-17/h4-6,13,15H,1-3,7-12H2,(H,18,22)/t15-,17+/m1/s1.
What are the key properties of N-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide?
N-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 97482016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).