N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide

C36H35Cl2N7O3 — CID 175711278

About N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 175711278) has the molecular formula C36H35Cl2N7O3 and a molecular weight of 684.63 g/mol. Its IUPAC name is N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
• PubChem CID: 175711278
• Molecular Formula: C36H35Cl2N7O3
• Molecular Weight: 684.63 g/mol
• Exact Mass: 683.22
• IUPAC Name: N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
• SMILES: Cn1cc(CN2CC[C@@H](O)C2)cc(C(=O)Nc2cccc(-c3cccc(Nc4nccc5cc(CN6CCC6)cnc45)c3Cl)c2Cl)c1=O
• InChI: InChI=1S/C36H35Cl2N7O3/c1-43-18-23(20-45-14-10-25(46)21-45)16-28(36(43)48)35(47)42-30-8-3-6-27(32(30)38)26-5-2-7-29(31(26)37)41-34-33-24(9-11-39-34)15-22(17-40-33)19-44-12-4-13-44/h2-3,5-9,11,15-18,25,46H,4,10,12-14,19-21H2,1H3,(H,39,41)(H,42,47)/t25-/m1/s1
• InChIKey: AYYUUCSMOUFLND-RUZDIDTESA-N
• XLogP: 6.07
• TPSA: 115.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.63
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 175711278) is N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cc(CN2CC[C@@H](O)C2)cc(C(=O)Nc2cccc(-c3cccc(Nc4nccc5cc(CN6CCC6)cnc45)c3Cl)c2Cl)c1=O.

What is the InChIKey of N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?

The InChIKey is AYYUUCSMOUFLND-RUZDIDTESA-N. The full InChI is InChI=1S/C36H35Cl2N7O3/c1-43-18-23(20-45-14-10-25(46)21-45)16-28(36(43)48)35(47)42-30-8-3-6-27(32(30)38)26-5-2-7-29(31(26)37)41-34-33-24(9-11-39-34)15-22(17-40-33)19-44-12-4-13-44/h2-3,5-9,11,15-18,25,46H,4,10,12-14,19-21H2,1H3,(H,39,41)(H,42,47)/t25-/m1/s1.

What are the key properties of N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide?

N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 684.63 g/mol, XLogP of 6.07, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[[3-(azetidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]-2-chlorophenyl]-2-chlorophenyl]-5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 175711278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).