3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid

C50H67F3N12O9 — CID 165014595

About 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid

3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 165014595) has the molecular formula C50H67F3N12O9 and a molecular weight of 1037.15 g/mol. Its IUPAC name is 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
• PubChem CID: 165014595
• Molecular Formula: C50H67F3N12O9
• Molecular Weight: 1037.15 g/mol
• Exact Mass: 1036.51
• IUPAC Name: 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
• SMILES: CN1CCC(CN)CC1.COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)NCC4CCN(C)CC4)cc23)CC1.COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)O)cc23)CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H32N6O3.C17H18N4O4.C7H16N2.C2HF3O2/c1-24(33-3)6-10-30(11-7-24)21-17-12-19(26-15-20(17)28-22(31)18(21)13-25)23(32)27-14-16-4-8-29(2)9-5-16;1-17(25-2)3-5-21(6-4-17)14-10-7-12(16(23)24)19-9-13(10)20-15(22)11(14)8-18;1-9-4-2-7(6-8)3-5-9;3-2(4,5)1(6)7/h12,15-16H,4-11,14H2,1-3H3,(H,27,32)(H,28,31);7,9H,3-6H2,1-2H3,(H,20,22)(H,23,24);7H,2-6,8H2,1H3;(H,6,7)
• InChIKey: OIFLQVXKSRTQHQ-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 300.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1037.15
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?

The IUPAC name of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid (CID 165014595) is 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid is CN1CCC(CN)CC1.COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)NCC4CCN(C)CC4)cc23)CC1.COC1(C)CCN(c2c(C#N)c(=O)[nH]c3cnc(C(=O)O)cc23)CC1.O=C(O)C(F)(F)F.

What is the InChIKey of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?

The InChIKey is OIFLQVXKSRTQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3.C17H18N4O4.C7H16N2.C2HF3O2/c1-24(33-3)6-10-30(11-7-24)21-17-12-19(26-15-20(17)28-22(31)18(21)13-25)23(32)27-14-16-4-8-29(2)9-5-16;1-17(25-2)3-5-21(6-4-17)14-10-7-12(16(23)24)19-9-13(10)20-15(22)11(14)8-18;1-9-4-2-7(6-8)3-5-9;3-2(4,5)1(6)7/h12,15-16H,4-11,14H2,1-3H3,(H,27,32)(H,28,31);7,9H,3-6H2,1-2H3,(H,20,22)(H,23,24);7H,2-6,8H2,1H3;(H,6,7).

What are the key properties of 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?

3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 1037.15 g/mol, XLogP of 4.29, 9 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-1H-1,7-naphthyridine-6-carboxamide;3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;(1-methylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 165014595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).