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

C22H21N7O — CID 170626917

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

N-[8-(methylamino)-5-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170626917) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[8-(methylamino)-5-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[8-(methylamino)-5-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 170626917
• Molecular Formula: C22H21N7O
• Molecular Weight: 399.46 g/mol
• Exact Mass: 399.18
• IUPAC Name: N-[8-(methylamino)-5-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: CNc1ncc(-c2cccc(-c3ncn(C)n3)c2)c2cc(NC(=O)C3CC3)ncc12
• InChI: InChI=1S/C22H21N7O/c1-23-21-18-11-24-19(27-22(30)13-6-7-13)9-16(18)17(10-25-21)14-4-3-5-15(8-14)20-26-12-29(2)28-20/h3-5,8-13H,6-7H2,1-2H3,(H,23,25)(H,24,27,30)
• InChIKey: UMZQQUKLJJIUSX-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 97.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.46
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[8-(methylamino)-5-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170626917) is N-[8-(methylamino)-5-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[8-(methylamino)-5-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CNc1ncc(-c2cccc(-c3ncn(C)n3)c2)c2cc(NC(=O)C3CC3)ncc12.

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

The InChIKey is UMZQQUKLJJIUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-23-21-18-11-24-19(27-22(30)13-6-7-13)9-16(18)17(10-25-21)14-4-3-5-15(8-14)20-26-12-29(2)28-20/h3-5,8-13H,6-7H2,1-2H3,(H,23,25)(H,24,27,30).

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

N-[8-(methylamino)-5-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 399.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-(methylamino)-5-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170626917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).