N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide

C37H40ClN7O4 — CID 171489683

About N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide

N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (PubChem CID 171489683) has the molecular formula C37H40ClN7O4 and a molecular weight of 682.23 g/mol. Its IUPAC name is N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
• PubChem CID: 171489683
• Molecular Formula: C37H40ClN7O4
• Molecular Weight: 682.23 g/mol
• Exact Mass: 681.28
• IUPAC Name: N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
• SMILES: COc1nc(-c2ccnc(-c3cccc(NC(=O)c4cc5c(cn4)CN(CC4COC4)CC5)c3C)c2Cl)ccc1CNC[C@H]1CCC(=O)N1
• InChI: InChI=1S/C37H40ClN7O4/c1-22-28(4-3-5-30(22)43-36(47)32-14-24-11-13-45(18-23-20-49-21-23)19-26(24)16-41-32)35-34(38)29(10-12-40-35)31-8-6-25(37(44-31)48-2)15-39-17-27-7-9-33(46)42-27/h3-6,8,10,12,14,16,23,27,39H,7,9,11,13,15,17-21H2,1-2H3,(H,42,46)(H,43,47)/t27-/m1/s1
• InChIKey: IOKLUPBVCZIASS-HHHXNRCGSA-N
• XLogP: 4.80
• TPSA: 130.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	682.23
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?

The IUPAC name of N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (CID 171489683) is N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.

What is the SMILES notation for N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?

The canonical SMILES for N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is COc1nc(-c2ccnc(-c3cccc(NC(=O)c4cc5c(cn4)CN(CC4COC4)CC5)c3C)c2Cl)ccc1CNC[C@H]1CCC(=O)N1.

What is the InChIKey of N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?

The InChIKey is IOKLUPBVCZIASS-HHHXNRCGSA-N. The full InChI is InChI=1S/C37H40ClN7O4/c1-22-28(4-3-5-30(22)43-36(47)32-14-24-11-13-45(18-23-20-49-21-23)19-26(24)16-41-32)35-34(38)29(10-12-40-35)31-8-6-25(37(44-31)48-2)15-39-17-27-7-9-33(46)42-27/h3-6,8,10,12,14,16,23,27,39H,7,9,11,13,15,17-21H2,1-2H3,(H,42,46)(H,43,47)/t27-/m1/s1.

What are the key properties of N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?

N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide has a molecular weight of 682.23 g/mol, XLogP of 4.80, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 171489683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).