3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C26H29F3N4O3 — CID 175710923

About 3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175710923) has the molecular formula C26H29F3N4O3 and a molecular weight of 502.54 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 175710923
• Molecular Formula: C26H29F3N4O3
• Molecular Weight: 502.54 g/mol
• Exact Mass: 502.22
• IUPAC Name: 3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1ccc(NC2CCNCC2)nc1C(=O)N[C@H](C)c1cccc2ccccc12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H28N4O.C2HF3O2/c1-16-10-11-22(27-19-12-14-25-15-13-19)28-23(16)24(29)26-17(2)20-9-5-7-18-6-3-4-8-21(18)20;3-2(4,5)1(6)7/h3-11,17,19,25H,12-15H2,1-2H3,(H,26,29)(H,27,28);(H,6,7)/t17-;/m1./s1
• InChIKey: KMBXXVQCBVQRIK-UNTBIKODSA-N
• XLogP: 4.83
• TPSA: 103.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.54
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 175710923) is 3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccc(NC2CCNCC2)nc1C(=O)N[C@H](C)c1cccc2ccccc12.O=C(O)C(F)(F)F.

What is the InChIKey of 3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is KMBXXVQCBVQRIK-UNTBIKODSA-N. The full InChI is InChI=1S/C24H28N4O.C2HF3O2/c1-16-10-11-22(27-19-12-14-25-15-13-19)28-23(16)24(29)26-17(2)20-9-5-7-18-6-3-4-8-21(18)20;3-2(4,5)1(6)7/h3-11,17,19,25H,12-15H2,1-2H3,(H,26,29)(H,27,28);(H,6,7)/t17-;/m1./s1.

What are the key properties of 3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 502.54 g/mol, XLogP of 4.83, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175710923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).