N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C24H23F2N5O4 — CID 155415355

About N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 155415355) has the molecular formula C24H23F2N5O4 and a molecular weight of 483.48 g/mol. Its IUPAC name is N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 155415355
• Molecular Formula: C24H23F2N5O4
• Molecular Weight: 483.48 g/mol
• Exact Mass: 483.17
• IUPAC Name: N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COc1cc(OC)c(F)c(CCc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)nc2)c1F
• InChI: InChI=1S/C24H23F2N5O4/c1-34-18-10-19(35-2)21(26)17(20(18)25)8-5-14-11-27-23(28-12-14)30-24(33)31-9-3-4-15-6-7-16(13-32)29-22(15)31/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,27,28,30,33)
• InChIKey: HCSBLCSEMLEEBD-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 106.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.48
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 155415355) is N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1cc(OC)c(F)c(CCc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)nc2)c1F.

What is the InChIKey of N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is HCSBLCSEMLEEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O4/c1-34-18-10-19(35-2)21(26)17(20(18)25)8-5-14-11-27-23(28-12-14)30-24(33)31-9-3-4-15-6-7-16(13-32)29-22(15)31/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,27,28,30,33).

What are the key properties of N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 483.48 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 155415355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).