2-amino-N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]-4-methylpentanamide;tert-butyl N-[1-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate

C47H70N14O4 — CID 68611621

About 2-amino-N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]-4-methylpentanamide;tert-butyl N-[1-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate

2-amino-N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]-4-methylpentanamide;tert-butyl N-[1-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 68611621) has the molecular formula C47H70N14O4 and a molecular weight of 895.17 g/mol. Its IUPAC name is 2-amino-N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]-4-methylpentanamide;tert-butyl N-[1-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: 2-amino-N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]-4-methylpentanamide;tert-butyl N-[1-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate
• PubChem CID: 68611621
• Molecular Formula: C47H70N14O4
• Molecular Weight: 895.17 g/mol
• Exact Mass: 894.57
• IUPAC Name: 2-amino-N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]-4-methylpentanamide;tert-butyl N-[1-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate
• SMILES: CCCCc1nc2c(N)nc3cccnc3c2n1CCNC(=O)C(CC(C)C)NC(=O)OC(C)(C)C.CCCCc1nc2c(N)nc3cccnc3c2n1CCNC(=O)C(N)CC(C)C
• InChI: InChI=1S/C26H39N7O3.C21H31N7O/c1-7-8-11-19-32-21-22(20-17(30-23(21)27)10-9-12-28-20)33(19)14-13-29-24(34)18(15-16(2)3)31-25(35)36-26(4,5)6;1-4-5-8-16-27-18-19(17-15(26-20(18)23)7-6-9-24-17)28(16)11-10-25-21(29)14(22)12-13(2)3/h9-10,12,16,18H,7-8,11,13-15H2,1-6H3,(H2,27,30)(H,29,34)(H,31,35);6-7,9,13-14H,4-5,8,10-12,22H2,1-3H3,(H2,23,26)(H,25,29)
• InChIKey: PEMSLLDOZDVOGK-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 261.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	895.17
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]-4-methylpentanamide;tert-butyl N-[1-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate?

The IUPAC name of 2-amino-N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]-4-methylpentanamide;tert-butyl N-[1-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 68611621) is 2-amino-N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]-4-methylpentanamide;tert-butyl N-[1-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate.

What is the SMILES notation for 2-amino-N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]-4-methylpentanamide;tert-butyl N-[1-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate?

The canonical SMILES for 2-amino-N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]-4-methylpentanamide;tert-butyl N-[1-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate is CCCCc1nc2c(N)nc3cccnc3c2n1CCNC(=O)C(CC(C)C)NC(=O)OC(C)(C)C.CCCCc1nc2c(N)nc3cccnc3c2n1CCNC(=O)C(N)CC(C)C.

What is the InChIKey of 2-amino-N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]-4-methylpentanamide;tert-butyl N-[1-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate?

The InChIKey is PEMSLLDOZDVOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N7O3.C21H31N7O/c1-7-8-11-19-32-21-22(20-17(30-23(21)27)10-9-12-28-20)33(19)14-13-29-24(34)18(15-16(2)3)31-25(35)36-26(4,5)6;1-4-5-8-16-27-18-19(17-15(26-20(18)23)7-6-9-24-17)28(16)11-10-25-21(29)14(22)12-13(2)3/h9-10,12,16,18H,7-8,11,13-15H2,1-6H3,(H2,27,30)(H,29,34)(H,31,35);6-7,9,13-14H,4-5,8,10-12,22H2,1-3H3,(H2,23,26)(H,25,29).

What are the key properties of 2-amino-N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]-4-methylpentanamide;tert-butyl N-[1-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate?

2-amino-N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]-4-methylpentanamide;tert-butyl N-[1-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 895.17 g/mol, XLogP of 6.35, 19 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]-4-methylpentanamide;tert-butyl N-[1-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 68611621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).