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

C28H34N6O5 — CID 137497248

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

N-[5-cyano-4-[(1S,2S)-2-methoxycyclopentyl]oxy-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 137497248) has the molecular formula C28H34N6O5 and a molecular weight of 534.62 g/mol. Its IUPAC name is N-[5-cyano-4-[(1S,2S)-2-methoxycyclopentyl]oxy-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-[(1S,2S)-2-methoxycyclopentyl]oxy-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 137497248
• Molecular Formula: C28H34N6O5
• Molecular Weight: 534.62 g/mol
• Exact Mass: 534.26
• IUPAC Name: N-[5-cyano-4-[(1S,2S)-2-methoxycyclopentyl]oxy-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CO[C@H]1CCC[C@@H]1Oc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4C)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C28H34N6O5/c1-18-17-38-10-9-33(18)15-20-11-19-5-4-8-34(27(19)31-22(20)16-35)28(36)32-26-12-25(21(13-29)14-30-26)39-24-7-3-6-23(24)37-2/h11-12,14,16,18,23-24H,3-10,15,17H2,1-2H3,(H,30,32,36)/t18?,23-,24-/m0/s1
• InChIKey: YQOCQEHZRVOOJZ-JUQRWGLSSA-N
• XLogP: 3.31
• TPSA: 129.91 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	534.62
LogP ≤ 5	3.31
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-[(1S,2S)-2-methoxycyclopentyl]oxy-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-[(1S,2S)-2-methoxycyclopentyl]oxy-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 137497248) is N-[5-cyano-4-[(1S,2S)-2-methoxycyclopentyl]oxy-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-[(1S,2S)-2-methoxycyclopentyl]oxy-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-[(1S,2S)-2-methoxycyclopentyl]oxy-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CO[C@H]1CCC[C@@H]1Oc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4C)c(C=O)nc32)ncc1C#N.

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

The InChIKey is YQOCQEHZRVOOJZ-JUQRWGLSSA-N. The full InChI is InChI=1S/C28H34N6O5/c1-18-17-38-10-9-33(18)15-20-11-19-5-4-8-34(27(19)31-22(20)16-35)28(36)32-26-12-25(21(13-29)14-30-26)39-24-7-3-6-23(24)37-2/h11-12,14,16,18,23-24H,3-10,15,17H2,1-2H3,(H,30,32,36)/t18?,23-,24-/m0/s1.

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

N-[5-cyano-4-[(1S,2S)-2-methoxycyclopentyl]oxy-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 534.62 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-[(1S,2S)-2-methoxycyclopentyl]oxy-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 137497248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).