N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-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;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;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;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine

C149H195BF2N20O9 — CID 159900485

About N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-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;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;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;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine

N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-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;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;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;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 159900485) has the molecular formula C149H195BF2N20O9 and a molecular weight of 2459.14 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-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;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;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;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

• Compound Name: N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-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;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;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;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
• PubChem CID: 159900485
• Molecular Formula: C149H195BF2N20O9
• Molecular Weight: 2459.14 g/mol
• Exact Mass: 2457.55
• IUPAC Name: N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-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;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;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;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
• SMILES: CC(C)c1cnc2c(c1)C(C)CC2.CC(C)c1cnc2c(c1)C(N)CC2.CC(C)c1cnc2c(c1)CN(C(=O)OCc1ccccc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCC(F)(F)CN)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCCC(=O)OCc3ccccc3)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCN)cc1)CC2.CC(C)c1cnc2c(c1)CNCC2.CC1Cc2cc(C(C)C)cnc2C1.CCC1OB(O)c2ncc(C(C)C)cc21
• InChI: InChI=1S/C30H35N3O3.C22H28F2N4O.C21H28N4O.C19H22N2O2.2C12H17N.C11H16BNO2.2C11H16N2/c1-22(2)26-17-27-20-33(16-14-28(27)32-18-26)19-23-10-12-25(13-11-23)30(35)31-15-6-9-29(34)36-21-24-7-4-3-5-8-24;1-15(2)18-9-19-12-28(8-7-20(19)26-10-18)11-16-3-5-17(6-4-16)21(29)27-14-22(23,24)13-25;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;1-14(2)16-10-17-12-21(9-8-18(17)20-11-16)19(22)23-13-15-6-4-3-5-7-15;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;1-4-10-9-5-8(7(2)3)6-13-11(9)12(14)15-10;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9;1-7(2)8-5-9-10(12)3-4-11(9)13-6-8/h3-5,7-8,10-13,17-18,22H,6,9,14-16,19-21H2,1-2H3,(H,31,35);3-6,9-10,15H,7-8,11-14,25H2,1-2H3,(H,27,29);3-6,11-12,15H,7-10,13-14,22H2,1-2H3,(H,23,26);3-7,10-11,14H,8-9,12-13H2,1-2H3;2*6-9H,4-5H2,1-3H3;5-7,10,14H,4H2,1-3H3;5,7-8,12H,3-4,6H2,1-2H3;5-7,10H,3-4,12H2,1-2H3
• InChIKey: NVWVOYFMBKCUBW-UHFFFAOYSA-N
• XLogP: 26.03
• TPSA: 388.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2459.14
LogP ≤ 5	26.03
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-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;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;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;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?

The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-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;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;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;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 159900485) is N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-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;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;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;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine.

What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-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;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;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;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?

The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-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;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;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;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine is CC(C)c1cnc2c(c1)C(C)CC2.CC(C)c1cnc2c(c1)C(N)CC2.CC(C)c1cnc2c(c1)CN(C(=O)OCc1ccccc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCC(F)(F)CN)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCCC(=O)OCc3ccccc3)cc1)CC2.CC(C)c1cnc2c(c1)CN(Cc1ccc(C(=O)NCCN)cc1)CC2.CC(C)c1cnc2c(c1)CNCC2.CC1Cc2cc(C(C)C)cnc2C1.CCC1OB(O)c2ncc(C(C)C)cc21.

What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-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;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;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;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?

The InChIKey is NVWVOYFMBKCUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3.C22H28F2N4O.C21H28N4O.C19H22N2O2.2C12H17N.C11H16BNO2.2C11H16N2/c1-22(2)26-17-27-20-33(16-14-28(27)32-18-26)19-23-10-12-25(13-11-23)30(35)31-15-6-9-29(34)36-21-24-7-4-3-5-8-24;1-15(2)18-9-19-12-28(8-7-20(19)26-10-18)11-16-3-5-17(6-4-16)21(29)27-14-22(23,24)13-25;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;1-14(2)16-10-17-12-21(9-8-18(17)20-11-16)19(22)23-13-15-6-4-3-5-7-15;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;1-4-10-9-5-8(7(2)3)6-13-11(9)12(14)15-10;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9;1-7(2)8-5-9-10(12)3-4-11(9)13-6-8/h3-5,7-8,10-13,17-18,22H,6,9,14-16,19-21H2,1-2H3,(H,31,35);3-6,9-10,15H,7-8,11-14,25H2,1-2H3,(H,27,29);3-6,11-12,15H,7-10,13-14,22H2,1-2H3,(H,23,26);3-7,10-11,14H,8-9,12-13H2,1-2H3;2*6-9H,4-5H2,1-3H3;5-7,10,14H,4H2,1-3H3;5,7-8,12H,3-4,6H2,1-2H3;5-7,10H,3-4,12H2,1-2H3.

What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-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;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;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;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?

N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-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;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;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;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 2459.14 g/mol, XLogP of 26.03, 32 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-2,2-difluoropropyl)-4-[(3-propan-2-yl-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;benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;benzyl 4-[[4-[(3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methyl]benzoyl]amino]butanoate;3-ethyl-1-hydroxy-5-propan-2-yl-3H-oxaborolo[3,4-b]pyridine;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;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 159900485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).