8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one

C78H96F15N17O7 — CID 165085213

About 8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one

8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one (PubChem CID 165085213) has the molecular formula C78H96F15N17O7 and a molecular weight of 1668.71 g/mol. Its IUPAC name is 8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one.

Molecular Properties

• Compound Name: 8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one
• PubChem CID: 165085213
• Molecular Formula: C78H96F15N17O7
• Molecular Weight: 1668.71 g/mol
• Exact Mass: 1667.74
• IUPAC Name: 8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one
• SMILES: CC(C)(C)Nc1nc(C#N)cc2cc(C(F)(F)F)cnc12.CC(C)(C)Nc1nc(C(=O)N2CCOCC2)cc2c1NCC(C(F)(F)F)C2.CC(C)(C)Nc1nc(C(=O)O)cc2c1NCC(C(F)(F)F)C2.CC(C)(C)Nc1nc(C(=O)O)cc2cc(C(F)(F)F)cnc12.CCCCC(=O)c1cc2c(c(NC(C)(C)C)n1)NCC(C(F)(F)F)C2
• InChI: InChI=1S/C18H25F3N4O2.C18H26F3N3O.C14H13F3N4.C14H18F3N3O2.C14H14F3N3O2/c1-17(2,3)24-15-14-11(8-12(10-22-14)18(19,20)21)9-13(23-15)16(26)25-4-6-27-7-5-25;1-5-6-7-14(25)13-9-11-8-12(18(19,20)21)10-22-15(11)16(23-13)24-17(2,3)4;1-13(2,3)21-12-11-8(5-10(6-18)20-12)4-9(7-19-11)14(15,16)17;2*1-13(2,3)20-11-10-7(5-9(19-11)12(21)22)4-8(6-18-10)14(15,16)17/h9,12,22H,4-8,10H2,1-3H3,(H,23,24);9,12,22H,5-8,10H2,1-4H3,(H,23,24);4-5,7H,1-3H3,(H,20,21);5,8,18H,4,6H2,1-3H3,(H,19,20)(H,21,22);4-6H,1-3H3,(H,19,20)(H,21,22)
• InChIKey: VUEDHKPUWWKJFF-UHFFFAOYSA-N
• XLogP: 18.15
• TPSA: 331.47 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1668.71
LogP ≤ 5	18.15
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one?

The IUPAC name of 8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one (CID 165085213) is 8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one.

What is the SMILES notation for 8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one?

The canonical SMILES for 8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one is CC(C)(C)Nc1nc(C#N)cc2cc(C(F)(F)F)cnc12.CC(C)(C)Nc1nc(C(=O)N2CCOCC2)cc2c1NCC(C(F)(F)F)C2.CC(C)(C)Nc1nc(C(=O)O)cc2c1NCC(C(F)(F)F)C2.CC(C)(C)Nc1nc(C(=O)O)cc2cc(C(F)(F)F)cnc12.CCCCC(=O)c1cc2c(c(NC(C)(C)C)n1)NCC(C(F)(F)F)C2.

What is the InChIKey of 8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one?

The InChIKey is VUEDHKPUWWKJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O2.C18H26F3N3O.C14H13F3N4.C14H18F3N3O2.C14H14F3N3O2/c1-17(2,3)24-15-14-11(8-12(10-22-14)18(19,20)21)9-13(23-15)16(26)25-4-6-27-7-5-25;1-5-6-7-14(25)13-9-11-8-12(18(19,20)21)10-22-15(11)16(23-13)24-17(2,3)4;1-13(2,3)21-12-11-8(5-10(6-18)20-12)4-9(7-19-11)14(15,16)17;2*1-13(2,3)20-11-10-7(5-9(19-11)12(21)22)4-8(6-18-10)14(15,16)17/h9,12,22H,4-8,10H2,1-3H3,(H,23,24);9,12,22H,5-8,10H2,1-4H3,(H,23,24);4-5,7H,1-3H3,(H,20,21);5,8,18H,4,6H2,1-3H3,(H,19,20)(H,21,22);4-6H,1-3H3,(H,19,20)(H,21,22).

What are the key properties of 8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one?

8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one has a molecular weight of 1668.71 g/mol, XLogP of 18.15, 12 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one is sourced from PubChem (CID 165085213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).