4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C26H28FN5O2 — CID 46072991

About 4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 46072991) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• PubChem CID: 46072991
• Molecular Formula: C26H28FN5O2
• Molecular Weight: 461.54 g/mol
• Exact Mass: 461.22
• IUPAC Name: 4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1cc(Oc2nc(N3CCCCC3)nc3c2CN(C(=O)Nc2ccccc2)CC3)ccc1F
• InChI: InChI=1S/C26H28FN5O2/c1-18-16-20(10-11-22(18)27)34-24-21-17-32(26(33)28-19-8-4-2-5-9-19)15-12-23(21)29-25(30-24)31-13-6-3-7-14-31/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3,(H,28,33)
• InChIKey: HBPIPNUGAHKWHF-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.54
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 46072991) is 4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1cc(Oc2nc(N3CCCCC3)nc3c2CN(C(=O)Nc2ccccc2)CC3)ccc1F.

What is the InChIKey of 4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The InChIKey is HBPIPNUGAHKWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-18-16-20(10-11-22(18)27)34-24-21-17-32(26(33)28-19-8-4-2-5-9-19)15-12-23(21)29-25(30-24)31-13-6-3-7-14-31/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3,(H,28,33).

What are the key properties of 4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46072991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).