N-[(5-cyano-2-pyridinyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide

C32H28N8O3 — CID 163382708

About N-[(5-cyano-2-pyridinyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide

N-[(5-cyano-2-pyridinyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide (PubChem CID 163382708) has the molecular formula C32H28N8O3 and a molecular weight of 572.63 g/mol. Its IUPAC name is N-[(5-cyano-2-pyridinyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide.

Molecular Properties

• Compound Name: N-[(5-cyano-2-pyridinyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
• PubChem CID: 163382708
• Molecular Formula: C32H28N8O3
• Molecular Weight: 572.63 g/mol
• Exact Mass: 572.23
• IUPAC Name: N-[(5-cyano-2-pyridinyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide
• SMILES: COc1ccc(CNc2nc3cnc(C(=O)N(Cc4ccc(C#N)cn4)[C@H](C)c4ncccn4)cc3c3c2COC3)cc1
• InChI: InChI=1S/C32H28N8O3/c1-20(30-34-10-3-11-35-30)40(17-23-7-4-22(13-33)15-36-23)32(41)28-12-25-26-18-43-19-27(26)31(39-29(25)16-37-28)38-14-21-5-8-24(42-2)9-6-21/h3-12,15-16,20H,14,17-19H2,1-2H3,(H,38,39)/t20-/m1/s1
• InChIKey: BQLMEMVAJUZSEQ-HXUWFJFHSA-N
• XLogP: 4.74
• TPSA: 139.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.63
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyano-2-pyridinyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?

The IUPAC name of N-[(5-cyano-2-pyridinyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide (CID 163382708) is N-[(5-cyano-2-pyridinyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide.

What is the SMILES notation for N-[(5-cyano-2-pyridinyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?

The canonical SMILES for N-[(5-cyano-2-pyridinyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide is COc1ccc(CNc2nc3cnc(C(=O)N(Cc4ccc(C#N)cn4)[C@H](C)c4ncccn4)cc3c3c2COC3)cc1.

What is the InChIKey of N-[(5-cyano-2-pyridinyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?

The InChIKey is BQLMEMVAJUZSEQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C32H28N8O3/c1-20(30-34-10-3-11-35-30)40(17-23-7-4-22(13-33)15-36-23)32(41)28-12-25-26-18-43-19-27(26)31(39-29(25)16-37-28)38-14-21-5-8-24(42-2)9-6-21/h3-12,15-16,20H,14,17-19H2,1-2H3,(H,38,39)/t20-/m1/s1.

What are the key properties of N-[(5-cyano-2-pyridinyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide?

N-[(5-cyano-2-pyridinyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide has a molecular weight of 572.63 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-cyano-2-pyridinyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,3-dihydrofuro[3,4-c][1,7]naphthyridine-8-carboxamide is sourced from PubChem (CID 163382708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).