5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide

C24H25F2N5O2 — CID 69077283

About 5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide

5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide (PubChem CID 69077283) has the molecular formula C24H25F2N5O2 and a molecular weight of 453.49 g/mol. Its IUPAC name is 5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide
• PubChem CID: 69077283
• Molecular Formula: C24H25F2N5O2
• Molecular Weight: 453.49 g/mol
• Exact Mass: 453.20
• IUPAC Name: 5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide
• SMILES: COc1ccc2nccc(NC(=O)C3CCC(NCC=Cc4cc(F)ccc4F)CN3)c2n1
• InChI: InChI=1S/C24H25F2N5O2/c1-33-22-9-8-19-23(31-22)20(10-12-28-19)30-24(32)21-7-5-17(14-29-21)27-11-2-3-15-13-16(25)4-6-18(15)26/h2-4,6,8-10,12-13,17,21,27,29H,5,7,11,14H2,1H3,(H,28,30,32)
• InChIKey: RPXCNJKIUQZRFI-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 88.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.49
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide?

The IUPAC name of 5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide (CID 69077283) is 5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide.

What is the SMILES notation for 5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide?

The canonical SMILES for 5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide is COc1ccc2nccc(NC(=O)C3CCC(NCC=Cc4cc(F)ccc4F)CN3)c2n1.

What is the InChIKey of 5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide?

The InChIKey is RPXCNJKIUQZRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O2/c1-33-22-9-8-19-23(31-22)20(10-12-28-19)30-24(32)21-7-5-17(14-29-21)27-11-2-3-15-13-16(25)4-6-18(15)26/h2-4,6,8-10,12-13,17,21,27,29H,5,7,11,14H2,1H3,(H,28,30,32).

What are the key properties of 5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide?

5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide has a molecular weight of 453.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide is sourced from PubChem (CID 69077283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).