N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C22H21N7O2 — CID 170627372

About N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170627372) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 170627372
• Molecular Formula: C22H21N7O2
• Molecular Weight: 415.46 g/mol
• Exact Mass: 415.18
• IUPAC Name: N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: CNc1ncc(-c2ccc(Oc3ncn(C)n3)cc2)c2cc(NC(=O)C3CC3)ncc12
• InChI: InChI=1S/C22H21N7O2/c1-23-20-18-11-24-19(27-21(30)14-3-4-14)9-16(18)17(10-25-20)13-5-7-15(8-6-13)31-22-26-12-29(2)28-22/h5-12,14H,3-4H2,1-2H3,(H,23,25)(H,24,27,30)
• InChIKey: SVNBMECNXSOSOZ-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 106.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.46
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170627372) is N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CNc1ncc(-c2ccc(Oc3ncn(C)n3)cc2)c2cc(NC(=O)C3CC3)ncc12.

What is the InChIKey of N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The InChIKey is SVNBMECNXSOSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-23-20-18-11-24-19(27-21(30)14-3-4-14)9-16(18)17(10-25-20)13-5-7-15(8-6-13)31-22-26-12-29(2)28-22/h5-12,14H,3-4H2,1-2H3,(H,23,25)(H,24,27,30).

What are the key properties of N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170627372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).