N-[7-cyano-2-(methoxymethyl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C27H30N6O6 — CID 134255924

About N-[7-cyano-2-(methoxymethyl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[7-cyano-2-(methoxymethyl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 134255924) has the molecular formula C27H30N6O6 and a molecular weight of 534.57 g/mol. Its IUPAC name is N-[7-cyano-2-(methoxymethyl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[7-cyano-2-(methoxymethyl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 134255924
• Molecular Formula: C27H30N6O6
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.22
• IUPAC Name: N-[7-cyano-2-(methoxymethyl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COCC1Cc2c(NC(=O)N3CCCc4cc(CN(C)C(=O)C5CCCO5)c(C=O)nc43)ncc(C#N)c2O1
• InChI: InChI=1S/C27H30N6O6/c1-32(26(35)22-6-4-8-38-22)13-17-9-16-5-3-7-33(25(16)30-21(17)14-34)27(36)31-24-20-10-19(15-37-2)39-23(20)18(11-28)12-29-24/h9,12,14,19,22H,3-8,10,13,15H2,1-2H3,(H,29,31,36)
• InChIKey: ZSSYQMAPKRWGKI-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 146.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.57
LogP ≤ 5	2.23
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-[7-cyano-2-(methoxymethyl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[7-cyano-2-(methoxymethyl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 134255924) is N-[7-cyano-2-(methoxymethyl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[7-cyano-2-(methoxymethyl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[7-cyano-2-(methoxymethyl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCC1Cc2c(NC(=O)N3CCCc4cc(CN(C)C(=O)C5CCCO5)c(C=O)nc43)ncc(C#N)c2O1.

What is the InChIKey of N-[7-cyano-2-(methoxymethyl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is ZSSYQMAPKRWGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O6/c1-32(26(35)22-6-4-8-38-22)13-17-9-16-5-3-7-33(25(16)30-21(17)14-34)27(36)31-24-20-10-19(15-37-2)39-23(20)18(11-28)12-29-24/h9,12,14,19,22H,3-8,10,13,15H2,1-2H3,(H,29,31,36).

What are the key properties of N-[7-cyano-2-(methoxymethyl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[7-cyano-2-(methoxymethyl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 534.57 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-cyano-2-(methoxymethyl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 134255924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).