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

C24H23F2N5O5 — CID 155415353

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

N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-formyl-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 155415353) has the molecular formula C24H23F2N5O5 and a molecular weight of 499.47 g/mol. Its IUPAC name is N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-formyl-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-formyl-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 155415353
• Molecular Formula: C24H23F2N5O5
• Molecular Weight: 499.47 g/mol
• Exact Mass: 499.17
• IUPAC Name: N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-formyl-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COc1cc(OC)c(F)c(COc2cnc(NC(=O)N3CCCc4c(C)cc(C=O)nc43)nc2)c1F
• InChI: InChI=1S/C24H23F2N5O5/c1-13-7-14(11-32)29-22-16(13)5-4-6-31(22)24(33)30-23-27-9-15(10-28-23)36-12-17-20(25)18(34-2)8-19(35-3)21(17)26/h7-11H,4-6,12H2,1-3H3,(H,27,28,30,33)
• InChIKey: QNAXNCBIWJMGQE-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 115.77 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	499.47
LogP ≤ 5	3.85
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-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-formyl-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-formyl-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 155415353) is N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-formyl-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-formyl-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1cc(OC)c(F)c(COc2cnc(NC(=O)N3CCCc4c(C)cc(C=O)nc43)nc2)c1F.

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

The InChIKey is QNAXNCBIWJMGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O5/c1-13-7-14(11-32)29-22-16(13)5-4-6-31(22)24(33)30-23-27-9-15(10-28-23)36-12-17-20(25)18(34-2)8-19(35-3)21(17)26/h7-11H,4-6,12H2,1-3H3,(H,27,28,30,33).

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

N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-formyl-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 499.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]-7-formyl-5-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 155415353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).