N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide

C19H27N7O2 — CID 122254625

About N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide

N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide (PubChem CID 122254625) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide
• PubChem CID: 122254625
• Molecular Formula: C19H27N7O2
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.22
• IUPAC Name: N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide
• SMILES: CCOc1ccc(C(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)cn1
• InChI: InChI=1S/C19H27N7O2/c1-4-28-16-9-8-14(12-20-16)17(27)21-13-15-22-18(25(2)3)24-19(23-15)26-10-6-5-7-11-26/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,27)
• InChIKey: PYXBKUKTUZQZGZ-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 96.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide?

The IUPAC name of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide (CID 122254625) is N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide.

What is the SMILES notation for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide?

The canonical SMILES for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)cn1.

What is the InChIKey of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide?

The InChIKey is PYXBKUKTUZQZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-4-28-16-9-8-14(12-20-16)17(27)21-13-15-22-18(25(2)3)24-19(23-15)26-10-6-5-7-11-26/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,27).

What are the key properties of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide?

N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 122254625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).