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

C25H30N8O5 — CID 118036706

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-hydroxy-4-methyl-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036706) has the molecular formula C25H30N8O5 and a molecular weight of 522.57 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-hydroxy-4-methyl-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-hydroxy-4-methyl-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118036706
• Molecular Formula: C25H30N8O5
• Molecular Weight: 522.57 g/mol
• Exact Mass: 522.23
• IUPAC Name: N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-hydroxy-4-methyl-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)[C@H](O)C4=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C25H30N8O5/c1-31-7-8-32(24(36)23(31)35)14-17-10-16-4-3-6-33(22(16)29-20(17)15-34)25(37)30-21-11-19(27-5-9-38-2)18(12-26)13-28-21/h10-11,13,15,23,35H,3-9,14H2,1-2H3,(H2,27,28,30,37)/t23-/m1/s1
• InChIKey: BMEZNEPKCJDOSU-HSZRJFAPSA-N
• XLogP: 0.80
• TPSA: 164.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.57
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-hydroxy-4-methyl-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-hydroxy-4-methyl-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036706) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-hydroxy-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-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-hydroxy-4-methyl-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-hydroxy-4-methyl-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)[C@H](O)C4=O)c(C=O)nc32)ncc1C#N.

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

The InChIKey is BMEZNEPKCJDOSU-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30N8O5/c1-31-7-8-32(24(36)23(31)35)14-17-10-16-4-3-6-33(22(16)29-20(17)15-34)25(37)30-21-11-19(27-5-9-38-2)18(12-26)13-28-21/h10-11,13,15,23,35H,3-9,14H2,1-2H3,(H2,27,28,30,37)/t23-/m1/s1.

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-hydroxy-4-methyl-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 522.57 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-[[(3R)-3-hydroxy-4-methyl-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).