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

C28H37F2N7O4 — CID 118036582

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036582) has the molecular formula C28H37F2N7O4 and a molecular weight of 573.65 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118036582
• Molecular Formula: C28H37F2N7O4
• Molecular Weight: 573.65 g/mol
• Exact Mass: 573.29
• IUPAC Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COCCNc1cc(NC(=O)N2CCCc3cc(C4CCN(CC(F)F)CC4)c(C(OC)OC)nc32)ncc1C#N
• InChI: InChI=1S/C28H37F2N7O4/c1-39-12-8-32-22-14-24(33-16-20(22)15-31)34-28(38)37-9-4-5-19-13-21(25(35-26(19)37)27(40-2)41-3)18-6-10-36(11-7-18)17-23(29)30/h13-14,16,18,23,27H,4-12,17H2,1-3H3,(H2,32,33,34,38)
• InChIKey: OEKDCHPASGGRJQ-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 124.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.65
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036582) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(C4CCN(CC(F)F)CC4)c(C(OC)OC)nc32)ncc1C#N.

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

The InChIKey is OEKDCHPASGGRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F2N7O4/c1-39-12-8-32-22-14-24(33-16-20(22)15-31)34-28(38)37-9-4-5-19-13-21(25(35-26(19)37)27(40-2)41-3)18-6-10-36(11-7-18)17-23(29)30/h13-14,16,18,23,27H,4-12,17H2,1-3H3,(H2,32,33,34,38).

What are the key properties of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 573.65 g/mol, XLogP of 4.13, 11 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]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).