7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C23H29N7 — CID 131991156

About 7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 131991156) has the molecular formula C23H29N7 and a molecular weight of 403.53 g/mol. Its IUPAC name is 7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

• Compound Name: 7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• PubChem CID: 131991156
• Molecular Formula: C23H29N7
• Molecular Weight: 403.53 g/mol
• Exact Mass: 403.25
• IUPAC Name: 7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• SMILES: C/C(=C\NCC1CN(C)C1)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1
• InChI: InChI=1S/C23H29N7/c1-15(2)18-8-23(29-26-12-18)28-22-6-5-20-21(27-22)7-19(11-25-20)16(3)9-24-10-17-13-30(4)14-17/h5-9,11-12,15,17,24H,10,13-14H2,1-4H3,(H,27,28,29)/b16-9+
• InChIKey: CWJMWEKIVVYLBN-CXUHLZMHSA-N
• XLogP: 3.80
• TPSA: 78.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.53
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The IUPAC name of 7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 131991156) is 7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

What is the SMILES notation for 7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The canonical SMILES for 7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is C/C(=C\NCC1CN(C)C1)c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1.

What is the InChIKey of 7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The InChIKey is CWJMWEKIVVYLBN-CXUHLZMHSA-N. The full InChI is InChI=1S/C23H29N7/c1-15(2)18-8-23(29-26-12-18)28-22-6-5-20-21(27-22)7-19(11-25-20)16(3)9-24-10-17-13-30(4)14-17/h5-9,11-12,15,17,24H,10,13-14H2,1-4H3,(H,27,28,29)/b16-9+.

What are the key properties of 7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 403.53 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(E)-1-[(1-methylazetidin-3-yl)methylamino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 131991156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).