6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine

C24H31N7 — CID 162433805

About 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine

6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine (PubChem CID 162433805) has the molecular formula C24H31N7 and a molecular weight of 417.56 g/mol. Its IUPAC name is 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine.

Molecular Properties

• Compound Name: 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine
• PubChem CID: 162433805
• Molecular Formula: C24H31N7
• Molecular Weight: 417.56 g/mol
• Exact Mass: 417.26
• IUPAC Name: 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine
• SMILES: C/N=C/c1cc(-c2ccc3nc(N4CCC(NC(C)(C)C)C4)ccc3n2)nc(C)c1N
• InChI: InChI=1S/C24H31N7/c1-15-23(25)16(13-26-5)12-21(27-15)20-7-6-19-18(28-20)8-9-22(29-19)31-11-10-17(14-31)30-24(2,3)4/h6-9,12-13,17,30H,10-11,14,25H2,1-5H3/b26-13+
• InChIKey: RJSHIRQWTXJXCF-LGJNPRDNSA-N
• XLogP: 3.60
• TPSA: 92.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.56
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine?

The IUPAC name of 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine (CID 162433805) is 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine.

What is the SMILES notation for 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine?

The canonical SMILES for 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine is C/N=C/c1cc(-c2ccc3nc(N4CCC(NC(C)(C)C)C4)ccc3n2)nc(C)c1N.

What is the InChIKey of 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine?

The InChIKey is RJSHIRQWTXJXCF-LGJNPRDNSA-N. The full InChI is InChI=1S/C24H31N7/c1-15-23(25)16(13-26-5)12-21(27-15)20-7-6-19-18(28-20)8-9-22(29-19)31-11-10-17(14-31)30-24(2,3)4/h6-9,12-13,17,30H,10-11,14,25H2,1-5H3/b26-13+.

What are the key properties of 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine?

6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine has a molecular weight of 417.56 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine is sourced from PubChem (CID 162433805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).