N-[4-[2-amino-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-3-carboxamide

C34H30F4N4O5 — CID 162563386

About N-[4-[2-amino-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-3-carboxamide

N-[4-[2-amino-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-3-carboxamide (PubChem CID 162563386) has the molecular formula C34H30F4N4O5 and a molecular weight of 650.63 g/mol. Its IUPAC name is N-[4-[2-amino-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-amino-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-3-carboxamide
• PubChem CID: 162563386
• Molecular Formula: C34H30F4N4O5
• Molecular Weight: 650.63 g/mol
• Exact Mass: 650.22
• IUPAC Name: N-[4-[2-amino-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-3-carboxamide
• SMILES: COc1cc(-c2cnc(N)c(-c3ccc(NC(=O)C4CN(CC(F)(F)F)C=C(c5ccc(F)cc5)C4=O)cc3)c2)ccc1OCCO
• InChI: InChI=1S/C34H30F4N4O5/c1-46-30-15-22(6-11-29(30)47-13-12-43)23-14-26(32(39)40-16-23)20-4-9-25(10-5-20)41-33(45)28-18-42(19-34(36,37)38)17-27(31(28)44)21-2-7-24(35)8-3-21/h2-11,14-17,28,43H,12-13,18-19H2,1H3,(H2,39,40)(H,41,45)
• InChIKey: XPCNMXUGLUGDIA-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 127.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.63
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-3-carboxamide?

The IUPAC name of N-[4-[2-amino-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-3-carboxamide (CID 162563386) is N-[4-[2-amino-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-3-carboxamide.

What is the SMILES notation for N-[4-[2-amino-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-3-carboxamide?

The canonical SMILES for N-[4-[2-amino-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-3-carboxamide is COc1cc(-c2cnc(N)c(-c3ccc(NC(=O)C4CN(CC(F)(F)F)C=C(c5ccc(F)cc5)C4=O)cc3)c2)ccc1OCCO.

What is the InChIKey of N-[4-[2-amino-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-3-carboxamide?

The InChIKey is XPCNMXUGLUGDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F4N4O5/c1-46-30-15-22(6-11-29(30)47-13-12-43)23-14-26(32(39)40-16-23)20-4-9-25(10-5-20)41-33(45)28-18-42(19-34(36,37)38)17-27(31(28)44)21-2-7-24(35)8-3-21/h2-11,14-17,28,43H,12-13,18-19H2,1H3,(H2,39,40)(H,41,45).

What are the key properties of N-[4-[2-amino-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-3-carboxamide?

N-[4-[2-amino-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-3-carboxamide has a molecular weight of 650.63 g/mol, XLogP of 5.56, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-amino-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydropyridine-3-carboxamide is sourced from PubChem (CID 162563386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).