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

C27H30N6O6 — CID 163836814

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

N-[5-cyano-4-[(3R,4R)-4-methoxyoxolan-3-yl]oxy-2-pyridinyl]-7-formyl-6-[[(3S)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 163836814) has the molecular formula C27H30N6O6 and a molecular weight of 534.57 g/mol. Its IUPAC name is N-[5-cyano-4-[(3R,4R)-4-methoxyoxolan-3-yl]oxy-2-pyridinyl]-7-formyl-6-[[(3S)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-[(3R,4R)-4-methoxyoxolan-3-yl]oxy-2-pyridinyl]-7-formyl-6-[[(3S)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 163836814
• Molecular Formula: C27H30N6O6
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.22
• IUPAC Name: N-[5-cyano-4-[(3R,4R)-4-methoxyoxolan-3-yl]oxy-2-pyridinyl]-7-formyl-6-[[(3S)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CO[C@@H]1COC[C@H]1Oc1cc(NC(=O)N2CCCc3cc(CN4CC[C@H](C)C4=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C27H30N6O6/c1-16-5-7-32(26(16)35)12-18-8-17-4-3-6-33(25(17)30-20(18)13-34)27(36)31-24-9-21(19(10-28)11-29-24)39-23-15-38-14-22(23)37-2/h8-9,11,13,16,22-23H,3-7,12,14-15H2,1-2H3,(H,29,31,36)/t16-,22+,23+/m0/s1
• InChIKey: QUVWDAZAHAELLY-PBNUPURSSA-N
• XLogP: 2.31
• 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	2.31
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-[(3R,4R)-4-methoxyoxolan-3-yl]oxy-2-pyridinyl]-7-formyl-6-[[(3S)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-[(3R,4R)-4-methoxyoxolan-3-yl]oxy-2-pyridinyl]-7-formyl-6-[[(3S)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 163836814) is N-[5-cyano-4-[(3R,4R)-4-methoxyoxolan-3-yl]oxy-2-pyridinyl]-7-formyl-6-[[(3S)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-[(3R,4R)-4-methoxyoxolan-3-yl]oxy-2-pyridinyl]-7-formyl-6-[[(3S)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-[(3R,4R)-4-methoxyoxolan-3-yl]oxy-2-pyridinyl]-7-formyl-6-[[(3S)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CO[C@@H]1COC[C@H]1Oc1cc(NC(=O)N2CCCc3cc(CN4CC[C@H](C)C4=O)c(C=O)nc32)ncc1C#N.

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

The InChIKey is QUVWDAZAHAELLY-PBNUPURSSA-N. The full InChI is InChI=1S/C27H30N6O6/c1-16-5-7-32(26(16)35)12-18-8-17-4-3-6-33(25(17)30-20(18)13-34)27(36)31-24-9-21(19(10-28)11-29-24)39-23-15-38-14-22(23)37-2/h8-9,11,13,16,22-23H,3-7,12,14-15H2,1-2H3,(H,29,31,36)/t16-,22+,23+/m0/s1.

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

N-[5-cyano-4-[(3R,4R)-4-methoxyoxolan-3-yl]oxy-2-pyridinyl]-7-formyl-6-[[(3S)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 534.57 g/mol, XLogP of 2.31, 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-[(3R,4R)-4-methoxyoxolan-3-yl]oxy-2-pyridinyl]-7-formyl-6-[[(3S)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 163836814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).