N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C27H32N8O4 — CID 155519199

About N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 155519199) has the molecular formula C27H32N8O4 and a molecular weight of 532.61 g/mol. Its IUPAC name is N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 155519199
• Molecular Formula: C27H32N8O4
• Molecular Weight: 532.61 g/mol
• Exact Mass: 532.25
• IUPAC Name: N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CN(C)C1CCN(c2cc(NC(=O)N3CCCc4cc(CN5CCOCC5=O)c(C=O)nc43)ncc2C#N)C1
• InChI: InChI=1S/C27H32N8O4/c1-32(2)21-5-7-33(15-21)23-11-24(29-13-20(23)12-28)31-27(38)35-6-3-4-18-10-19(22(16-36)30-26(18)35)14-34-8-9-39-17-25(34)37/h10-11,13,16,21H,3-9,14-15,17H2,1-2H3,(H,29,31,38)
• InChIKey: VUGKIGUAKGUINI-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 135.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.61
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 155519199) is N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CN(C)C1CCN(c2cc(NC(=O)N3CCCc4cc(CN5CCOCC5=O)c(C=O)nc43)ncc2C#N)C1.

What is the InChIKey of N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is VUGKIGUAKGUINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O4/c1-32(2)21-5-7-33(15-21)23-11-24(29-13-20(23)12-28)31-27(38)35-6-3-4-18-10-19(22(16-36)30-26(18)35)14-34-8-9-39-17-25(34)37/h10-11,13,16,21H,3-9,14-15,17H2,1-2H3,(H,29,31,38).

What are the key properties of N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 532.61 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 155519199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).