N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

C22H21N5O2 — CID 170677524

About N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 170677524) has the molecular formula C22H21N5O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
• PubChem CID: 170677524
• Molecular Formula: C22H21N5O2
• Molecular Weight: 390.46 g/mol
• Exact Mass: 390.19
• IUPAC Name: N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
• SMILES: [2H]C([2H])([2H])Nc1ncc(C#Cc2ccc(OC)cn2)c2cc(NC(=O)C3CC3C)ncc12
• InChI: InChI=1S/C22H21N5O2/c1-13-8-17(13)22(28)27-20-9-18-14(10-26-21(23-2)19(18)12-25-20)4-5-15-6-7-16(29-3)11-24-15/h6-7,9-13,17H,8H2,1-3H3,(H,23,26)(H,25,27,28)/i2D3
• InChIKey: FVHVKBYVTDFMCW-BMSJAHLVSA-N
• XLogP: 3.07
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.46
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

The IUPAC name of N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (CID 170677524) is N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.

What is the SMILES notation for N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

The canonical SMILES for N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is [2H]C([2H])([2H])Nc1ncc(C#Cc2ccc(OC)cn2)c2cc(NC(=O)C3CC3C)ncc12.

What is the InChIKey of N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

The InChIKey is FVHVKBYVTDFMCW-BMSJAHLVSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-13-8-17(13)22(28)27-20-9-18-14(10-26-21(23-2)19(18)12-25-20)4-5-15-6-7-16(29-3)11-24-15/h6-7,9-13,17H,8H2,1-3H3,(H,23,26)(H,25,27,28)/i2D3.

What are the key properties of N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 170677524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).