N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide

C17H19N5O2 — CID 126918495

About N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 126918495) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 126918495
• Molecular Formula: C17H19N5O2
• Molecular Weight: 325.37 g/mol
• Exact Mass: 325.15
• IUPAC Name: N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
• SMILES: O=C(NCC1CN(c2cc3c(nn2)CCC3)C1)c1ccc(=O)[nH]c1
• InChI: InChI=1S/C17H19N5O2/c23-16-5-4-13(8-18-16)17(24)19-7-11-9-22(10-11)15-6-12-2-1-3-14(12)20-21-15/h4-6,8,11H,1-3,7,9-10H2,(H,18,23)(H,19,24)
• InChIKey: NQYSWQIWUYJZCP-UHFFFAOYSA-N
• XLogP: 0.52
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.37
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 126918495) is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCC1CN(c2cc3c(nn2)CCC3)C1)c1ccc(=O)[nH]c1.

What is the InChIKey of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?

The InChIKey is NQYSWQIWUYJZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-16-5-4-13(8-18-16)17(24)19-7-11-9-22(10-11)15-6-12-2-1-3-14(12)20-21-15/h4-6,8,11H,1-3,7,9-10H2,(H,18,23)(H,19,24).

What are the key properties of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126918495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).