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

C23H28N8O5 — CID 130469918

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

N-[4-(ethylamino)-5-nitro-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 130469918) has the molecular formula C23H28N8O5 and a molecular weight of 496.53 g/mol. Its IUPAC name is N-[4-(ethylamino)-5-nitro-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-[4-(ethylamino)-5-nitro-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 130469918
• Molecular Formula: C23H28N8O5
• Molecular Weight: 496.53 g/mol
• Exact Mass: 496.22
• IUPAC Name: N-[4-(ethylamino)-5-nitro-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1[N+](=O)[O-]
• InChI: InChI=1S/C23H28N8O5/c1-3-24-17-10-20(25-11-19(17)31(35)36)27-23(34)30-6-4-5-15-9-16(18(14-32)26-22(15)30)12-29-8-7-28(2)13-21(29)33/h9-11,14H,3-8,12-13H2,1-2H3,(H2,24,25,27,34)
• InChIKey: KJHHASSPYQFKLL-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 153.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.53
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)-5-nitro-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-[4-(ethylamino)-5-nitro-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 130469918) is N-[4-(ethylamino)-5-nitro-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-[4-(ethylamino)-5-nitro-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-[4-(ethylamino)-5-nitro-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1[N+](=O)[O-].

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

The InChIKey is KJHHASSPYQFKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O5/c1-3-24-17-10-20(25-11-19(17)31(35)36)27-23(34)30-6-4-5-15-9-16(18(14-32)26-22(15)30)12-29-8-7-28(2)13-21(29)33/h9-11,14H,3-8,12-13H2,1-2H3,(H2,24,25,27,34).

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

N-[4-(ethylamino)-5-nitro-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 496.53 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(ethylamino)-5-nitro-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 130469918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).