N-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C23H23N5O2 — CID 170677955

About N-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170677955) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 170677955
• Molecular Formula: C23H23N5O2
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.19
• IUPAC Name: N-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: CCc1nc(NC)c2cnc(NC(=O)C3CC3)cc2c1C#Cc1ccc(OC)cn1
• InChI: InChI=1S/C23H23N5O2/c1-4-20-17(10-8-15-7-9-16(30-3)12-25-15)18-11-21(28-23(29)14-5-6-14)26-13-19(18)22(24-2)27-20/h7,9,11-14H,4-6H2,1-3H3,(H,24,27)(H,26,28,29)
• InChIKey: BSLFSONMYZPNAL-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	3.39
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-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170677955) is N-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CCc1nc(NC)c2cnc(NC(=O)C3CC3)cc2c1C#Cc1ccc(OC)cn1.

What is the InChIKey of N-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The InChIKey is BSLFSONMYZPNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-4-20-17(10-8-15-7-9-16(30-3)12-25-15)18-11-21(28-23(29)14-5-6-14)26-13-19(18)22(24-2)27-20/h7,9,11-14H,4-6H2,1-3H3,(H,24,27)(H,26,28,29).

What are the key properties of N-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

N-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170677955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).