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

C24H31N7O — CID 170011901

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

6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-5-methoxy-2-(methyliminomethyl)pyridin-3-amine (PubChem CID 170011901) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-5-methoxy-2-(methyliminomethyl)pyridin-3-amine.

Molecular Properties

• Compound Name: 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-5-methoxy-2-(methyliminomethyl)pyridin-3-amine
• PubChem CID: 170011901
• Molecular Formula: C24H31N7O
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.26
• IUPAC Name: 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-5-methoxy-2-(methyliminomethyl)pyridin-3-amine
• SMILES: C/N=C/c1nc(-c2ccc3nc(N4CCC(NC(C)(C)C)C4)ccc3n2)c(OC)cc1N
• InChI: InChI=1S/C24H31N7O/c1-24(2,3)30-15-10-11-31(14-15)22-9-8-17-18(28-22)6-7-19(27-17)23-21(32-5)12-16(25)20(29-23)13-26-4/h6-9,12-13,15,30H,10-11,14,25H2,1-5H3/b26-13+
• InChIKey: RFOQDGPTKHGQOA-LGJNPRDNSA-N
• XLogP: 3.30
• TPSA: 101.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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]-5-methoxy-2-(methyliminomethyl)pyridin-3-amine?

The IUPAC name of 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-5-methoxy-2-(methyliminomethyl)pyridin-3-amine (CID 170011901) is 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-5-methoxy-2-(methyliminomethyl)pyridin-3-amine.

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

The canonical SMILES for 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-5-methoxy-2-(methyliminomethyl)pyridin-3-amine is C/N=C/c1nc(-c2ccc3nc(N4CCC(NC(C)(C)C)C4)ccc3n2)c(OC)cc1N.

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

The InChIKey is RFOQDGPTKHGQOA-LGJNPRDNSA-N. The full InChI is InChI=1S/C24H31N7O/c1-24(2,3)30-15-10-11-31(14-15)22-9-8-17-18(28-22)6-7-19(27-17)23-21(32-5)12-16(25)20(29-23)13-26-4/h6-9,12-13,15,30H,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]-5-methoxy-2-(methyliminomethyl)pyridin-3-amine?

6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-5-methoxy-2-(methyliminomethyl)pyridin-3-amine has a molecular weight of 433.56 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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]-5-methoxy-2-(methyliminomethyl)pyridin-3-amine is sourced from PubChem (CID 170011901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).