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

C18H21N5O2 — CID 97484602

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

N-[[(3aR,6aR)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide (PubChem CID 97484602) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[(3aR,6aR)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide
• PubChem CID: 97484602
• Molecular Formula: C18H21N5O2
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.17
• IUPAC Name: N-[[(3aR,6aR)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide
• SMILES: O=C(NC[C@]12COC[C@H]1CN(Cc1cccnc1)C2)c1ccnnc1
• InChI: InChI=1S/C18H21N5O2/c24-17(15-3-5-21-22-7-15)20-11-18-12-23(9-16(18)10-25-13-18)8-14-2-1-4-19-6-14/h1-7,16H,8-13H2,(H,20,24)/t16-,18+/m1/s1
• InChIKey: ZDXIYGCDHPFVIN-AEFFLSMTSA-N
• XLogP: 0.75
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide (CID 97484602) is N-[[(3aR,6aR)-5-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-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(Cc1cccnc1)C2)c1ccnnc1.

What is the InChIKey of N-[[(3aR,6aR)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide?

The InChIKey is ZDXIYGCDHPFVIN-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17(15-3-5-21-22-7-15)20-11-18-12-23(9-16(18)10-25-13-18)8-14-2-1-4-19-6-14/h1-7,16H,8-13H2,(H,20,24)/t16-,18+/m1/s1.

What are the key properties of N-[[(3aR,6aR)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide?

N-[[(3aR,6aR)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3aR,6aR)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 97484602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).