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

C26H31N7O5 — CID 118036716

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

N-[5-cyano-4-[(2S)-2-methoxypropoxy]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036716) has the molecular formula C26H31N7O5 and a molecular weight of 521.58 g/mol. Its IUPAC name is N-[5-cyano-4-[(2S)-2-methoxypropoxy]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-[(2S)-2-methoxypropoxy]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118036716
• Molecular Formula: C26H31N7O5
• Molecular Weight: 521.58 g/mol
• Exact Mass: 521.24
• IUPAC Name: N-[5-cyano-4-[(2S)-2-methoxypropoxy]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CO[C@@H](C)COc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C26H31N7O5/c1-17(37-3)16-38-22-10-23(28-12-20(22)11-27)30-26(36)33-6-4-5-18-9-19(21(15-34)29-25(18)33)13-32-8-7-31(2)14-24(32)35/h9-10,12,15,17H,4-8,13-14,16H2,1-3H3,(H,28,30,36)/t17-/m0/s1
• InChIKey: FVRLVWVKWXERPU-KRWDZBQOSA-N
• XLogP: 1.83
• TPSA: 140.99 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	521.58
LogP ≤ 5	1.83
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-[(2S)-2-methoxypropoxy]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-[(2S)-2-methoxypropoxy]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036716) is N-[5-cyano-4-[(2S)-2-methoxypropoxy]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-[(2S)-2-methoxypropoxy]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CO[C@@H](C)COc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N.

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

The InChIKey is FVRLVWVKWXERPU-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H31N7O5/c1-17(37-3)16-38-22-10-23(28-12-20(22)11-27)30-26(36)33-6-4-5-18-9-19(21(15-34)29-25(18)33)13-32-8-7-31(2)14-24(32)35/h9-10,12,15,17H,4-8,13-14,16H2,1-3H3,(H,28,30,36)/t17-/m0/s1.

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

N-[5-cyano-4-[(2S)-2-methoxypropoxy]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 521.58 g/mol, XLogP of 1.83, 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-[(2S)-2-methoxypropoxy]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).