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

C24H26FN7O4 — CID 118036587

About N-[5-cyano-4-(2-fluoroethoxy)-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-(2-fluoroethoxy)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036587) has the molecular formula C24H26FN7O4 and a molecular weight of 495.52 g/mol. Its IUPAC name is N-[5-cyano-4-(2-fluoroethoxy)-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-(2-fluoroethoxy)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118036587
• Molecular Formula: C24H26FN7O4
• Molecular Weight: 495.52 g/mol
• Exact Mass: 495.20
• IUPAC Name: N-[5-cyano-4-(2-fluoroethoxy)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CN1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(OCCF)c(C#N)cn2)CCC3)C(=O)C1
• InChI: InChI=1S/C24H26FN7O4/c1-30-6-7-31(22(34)14-30)13-17-9-16-3-2-5-32(23(16)28-19(17)15-33)24(35)29-21-10-20(36-8-4-25)18(11-26)12-27-21/h9-10,12,15H,2-8,13-14H2,1H3,(H,27,29,35)
• InChIKey: AWYBTUAHEQSSEA-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 131.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.52
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-fluoroethoxy)-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-(2-fluoroethoxy)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036587) is N-[5-cyano-4-(2-fluoroethoxy)-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-(2-fluoroethoxy)-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-(2-fluoroethoxy)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CN1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(OCCF)c(C#N)cn2)CCC3)C(=O)C1.

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

The InChIKey is AWYBTUAHEQSSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O4/c1-30-6-7-31(22(34)14-30)13-17-9-16-3-2-5-32(23(16)28-19(17)15-33)24(35)29-21-10-20(36-8-4-25)18(11-26)12-27-21/h9-10,12,15H,2-8,13-14H2,1H3,(H,27,29,35).

What are the key properties of N-[5-cyano-4-(2-fluoroethoxy)-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-(2-fluoroethoxy)-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 495.52 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-fluoroethoxy)-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 118036587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).