N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C25H29N7O5 — CID 134255820

About N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 134255820) has the molecular formula C25H29N7O5 and a molecular weight of 507.55 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 134255820
• Molecular Formula: C25H29N7O5
• Molecular Weight: 507.55 g/mol
• Exact Mass: 507.22
• IUPAC Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COCCNc1cc(NC(=O)N2CCCc3cc(CN4CC[C@@H](OC)C4=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C25H29N7O5/c1-36-9-6-27-19-11-22(28-13-18(19)12-26)30-25(35)32-7-3-4-16-10-17(20(15-33)29-23(16)32)14-31-8-5-21(37-2)24(31)34/h10-11,13,15,21H,3-9,14H2,1-2H3,(H2,27,28,30,35)/t21-/m1/s1
• InChIKey: LTUJTWUNXSABMP-OAQYLSRUSA-N
• XLogP: 1.95
• TPSA: 149.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.55
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 134255820) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(CN4CC[C@@H](OC)C4=O)c(C=O)nc32)ncc1C#N.

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

The InChIKey is LTUJTWUNXSABMP-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H29N7O5/c1-36-9-6-27-19-11-22(28-13-18(19)12-26)30-25(35)32-7-3-4-16-10-17(20(15-33)29-23(16)32)14-31-8-5-21(37-2)24(31)34/h10-11,13,15,21H,3-9,14H2,1-2H3,(H2,27,28,30,35)/t21-/m1/s1.

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 507.55 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 134255820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).