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

C27H32N6O5 — CID 139465553

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

N-[5-cyano-4-[(1-methoxycyclopropyl)methoxy]-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 139465553) has the molecular formula C27H32N6O5 and a molecular weight of 520.59 g/mol. Its IUPAC name is N-[5-cyano-4-[(1-methoxycyclopropyl)methoxy]-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-[(1-methoxycyclopropyl)methoxy]-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 139465553
• Molecular Formula: C27H32N6O5
• Molecular Weight: 520.59 g/mol
• Exact Mass: 520.24
• IUPAC Name: N-[5-cyano-4-[(1-methoxycyclopropyl)methoxy]-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COC1(COc2cc(NC(=O)N3CCCc4cc(CN5CCOCC5C)c(C=O)nc43)ncc2C#N)CC1
• InChI: InChI=1S/C27H32N6O5/c1-18-16-37-9-8-32(18)14-20-10-19-4-3-7-33(25(19)30-22(20)15-34)26(35)31-24-11-23(21(12-28)13-29-24)38-17-27(36-2)5-6-27/h10-11,13,15,18H,3-9,14,16-17H2,1-2H3,(H,29,31,35)
• InChIKey: FVMWJSNXEUPXFM-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 129.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.59
LogP ≤ 5	2.92
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-[5-cyano-4-[(1-methoxycyclopropyl)methoxy]-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-[(1-methoxycyclopropyl)methoxy]-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 139465553) is N-[5-cyano-4-[(1-methoxycyclopropyl)methoxy]-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-[(1-methoxycyclopropyl)methoxy]-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC1(COc2cc(NC(=O)N3CCCc4cc(CN5CCOCC5C)c(C=O)nc43)ncc2C#N)CC1.

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

The InChIKey is FVMWJSNXEUPXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O5/c1-18-16-37-9-8-32(18)14-20-10-19-4-3-7-33(25(19)30-22(20)15-34)26(35)31-24-11-23(21(12-28)13-29-24)38-17-27(36-2)5-6-27/h10-11,13,15,18H,3-9,14,16-17H2,1-2H3,(H,29,31,35).

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

N-[5-cyano-4-[(1-methoxycyclopropyl)methoxy]-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 520.59 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-[(1-methoxycyclopropyl)methoxy]-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 139465553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).