N-(3-amino-2,2-difluoropropyl)-4-[(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine

C91H125BF2N12O4 — CID 158888780

About N-(3-amino-2,2-difluoropropyl)-4-[(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine

N-(3-amino-2,2-difluoropropyl)-4-[(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine (PubChem CID 158888780) has the molecular formula C91H125BF2N12O4 and a molecular weight of 1499.89 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-[(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine.

Molecular Properties

• Compound Name: N-(3-amino-2,2-difluoropropyl)-4-[(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
• PubChem CID: 158888780
• Molecular Formula: C91H125BF2N12O4
• Molecular Weight: 1499.89 g/mol
• Exact Mass: 1499.00
• IUPAC Name: N-(3-amino-2,2-difluoropropyl)-4-[(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
• SMILES: CC(C)(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCC(F)(F)CN)cc1)CC2.CC(C)c1cnc2c(c1)C(C)CC2.CC(C)c1cnc2c(c1)C(N)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCN)cc1)CC2.CC1Cc2cc(C(C)C)cnc2C1.CCC1OB(O)c2ccc(C(C)C)cc21
• InChI: InChI=1S/C23H30F2N4O.C21H28N4O.C12H17BO2.2C12H17N.C11H16N2/c1-22(2,3)19-10-18-13-29(9-8-20(18)27-11-19)12-16-4-6-17(7-5-16)21(30)28-15-23(24,25)14-26;1-15(2)18-11-19-14-25(10-7-20(19)24-12-18)13-16-3-5-17(6-4-16)21(26)23-9-8-22;1-4-12-10-7-9(8(2)3)5-6-11(10)13(14)15-12;1-8(2)11-6-10-4-9(3)5-12(10)13-7-11;1-8(2)10-6-11-9(3)4-5-12(11)13-7-10;1-7(2)8-5-9-10(12)3-4-11(9)13-6-8/h4-7,10-11H,8-9,12-15,26H2,1-3H3,(H,28,30);3-6,11-12,15H,7-10,13-14,22H2,1-2H3,(H,23,26);5-8,12,14H,4H2,1-3H3;2*6-9H,4-5H2,1-3H3;5-7,10H,3-4,12H2,1-2H3
• InChIKey: JDYOANHWKAOTIG-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 236.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1499.89
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-[(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?

The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-[(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine (CID 158888780) is N-(3-amino-2,2-difluoropropyl)-4-[(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine.

What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-[(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?

The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-[(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine is CC(C)(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCC(F)(F)CN)cc1)CC2.CC(C)c1cnc2c(c1)C(C)CC2.CC(C)c1cnc2c(c1)C(N)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCN)cc1)CC2.CC1Cc2cc(C(C)C)cnc2C1.CCC1OB(O)c2ccc(C(C)C)cc21.

What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-[(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?

The InChIKey is JDYOANHWKAOTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N4O.C21H28N4O.C12H17BO2.2C12H17N.C11H16N2/c1-22(2,3)19-10-18-13-29(9-8-20(18)27-11-19)12-16-4-6-17(7-5-16)21(30)28-15-23(24,25)14-26;1-15(2)18-11-19-14-25(10-7-20(19)24-12-18)13-16-3-5-17(6-4-16)21(26)23-9-8-22;1-4-12-10-7-9(8(2)3)5-6-11(10)13(14)15-12;1-8(2)11-6-10-4-9(3)5-12(10)13-7-11;1-8(2)10-6-11-9(3)4-5-12(11)13-7-10;1-7(2)8-5-9-10(12)3-4-11(9)13-6-8/h4-7,10-11H,8-9,12-15,26H2,1-3H3,(H,28,30);3-6,11-12,15H,7-10,13-14,22H2,1-2H3,(H,23,26);5-8,12,14H,4H2,1-3H3;2*6-9H,4-5H2,1-3H3;5-7,10H,3-4,12H2,1-2H3.

What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-[(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?

N-(3-amino-2,2-difluoropropyl)-4-[(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine has a molecular weight of 1499.89 g/mol, XLogP of 16.04, 17 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-2,2-difluoropropyl)-4-[(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;N-(2-aminoethyl)-4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzamide;3-ethyl-1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;5-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine is sourced from PubChem (CID 158888780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).