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

C27H35N7O6 — CID 134255874

About N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(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-(dimethoxymethyl)-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 134255874) has the molecular formula C27H35N7O6 and a molecular weight of 553.62 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(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-(dimethoxymethyl)-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 134255874
• Molecular Formula: C27H35N7O6
• Molecular Weight: 553.62 g/mol
• Exact Mass: 553.26
• IUPAC Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCC(OC)C4=O)c(C(OC)OC)nc32)ncc1C#N
• InChI: InChI=1S/C27H35N7O6/c1-37-11-8-29-20-13-22(30-15-19(20)14-28)31-27(36)34-9-5-6-17-12-18(16-33-10-7-21(38-2)25(33)35)23(32-24(17)34)26(39-3)40-4/h12-13,15,21,26H,5-11,16H2,1-4H3,(H2,29,30,31,36)
• InChIKey: FECRNITWRCOXOR-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 151.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.62
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(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-(dimethoxymethyl)-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 134255874) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(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-(dimethoxymethyl)-6-[(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-(dimethoxymethyl)-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCC(OC)C4=O)c(C(OC)OC)nc32)ncc1C#N.

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

The InChIKey is FECRNITWRCOXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O6/c1-37-11-8-29-20-13-22(30-15-19(20)14-28)31-27(36)34-9-5-6-17-12-18(16-33-10-7-21(38-2)25(33)35)23(32-24(17)34)26(39-3)40-4/h12-13,15,21,26H,5-11,16H2,1-4H3,(H2,29,30,31,36).

What are the key properties of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(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-(dimethoxymethyl)-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 553.62 g/mol, XLogP of 2.43, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 134255874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).