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

C25H25N7O4 — CID 142393069

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

N-[4-(but-3-ynylamino)-5-cyano-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 142393069) has the molecular formula C25H25N7O4 and a molecular weight of 487.52 g/mol. Its IUPAC name is N-[4-(but-3-ynylamino)-5-cyano-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-(but-3-ynylamino)-5-cyano-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 142393069
• Molecular Formula: C25H25N7O4
• Molecular Weight: 487.52 g/mol
• Exact Mass: 487.20
• IUPAC Name: N-[4-(but-3-ynylamino)-5-cyano-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: C#CCCNc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C25H25N7O4/c1-2-3-6-27-20-11-22(28-13-19(20)12-26)30-25(35)32-7-4-5-17-10-18(21(15-33)29-24(17)32)14-31-8-9-36-16-23(31)34/h1,10-11,13,15H,3-9,14,16H2,(H2,27,28,30,35)
• InChIKey: ASZMXHONOCIXCJ-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 140.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.52
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[4-(but-3-ynylamino)-5-cyano-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 142393069) is N-[4-(but-3-ynylamino)-5-cyano-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-[4-(but-3-ynylamino)-5-cyano-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[4-(but-3-ynylamino)-5-cyano-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is C#CCCNc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1C#N.

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

The InChIKey is ASZMXHONOCIXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O4/c1-2-3-6-27-20-11-22(28-13-19(20)12-26)30-25(35)32-7-4-5-17-10-18(21(15-33)29-24(17)32)14-31-8-9-36-16-23(31)34/h1,10-11,13,15H,3-9,14,16H2,(H2,27,28,30,35).

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

N-[4-(but-3-ynylamino)-5-cyano-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 487.52 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(but-3-ynylamino)-5-cyano-2-pyridinyl]-7-formyl-6-[(3-oxomorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 142393069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).