N-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane

C33H48F3N5O4 — CID 155700315

About N-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane

N-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane (PubChem CID 155700315) has the molecular formula C33H48F3N5O4 and a molecular weight of 635.77 g/mol. Its IUPAC name is N-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane.

Molecular Properties

• Compound Name: N-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane
• PubChem CID: 155700315
• Molecular Formula: C33H48F3N5O4
• Molecular Weight: 635.77 g/mol
• Exact Mass: 635.37
• IUPAC Name: N-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane
• SMILES: CC(F)(F)F.CN1CCOCC1.Cc1ccc(NC(=O)N2CCCC2)cc1-c1cc(OC2CCCC2)nc(N2CCOCC2)c1
• InChI: InChI=1S/C26H34N4O3.C5H11NO.C2H3F3/c1-19-8-9-21(27-26(31)30-10-4-5-11-30)18-23(19)20-16-24(29-12-14-32-15-13-29)28-25(17-20)33-22-6-2-3-7-22;1-6-2-4-7-5-3-6;1-2(3,4)5/h8-9,16-18,22H,2-7,10-15H2,1H3,(H,27,31);2-5H2,1H3;1H3
• InChIKey: NXHQMMFMWCSZRP-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 79.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.77
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane?

The IUPAC name of N-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane (CID 155700315) is N-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane.

What is the SMILES notation for N-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane?

The canonical SMILES for N-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane is CC(F)(F)F.CN1CCOCC1.Cc1ccc(NC(=O)N2CCCC2)cc1-c1cc(OC2CCCC2)nc(N2CCOCC2)c1.

What is the InChIKey of N-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane?

The InChIKey is NXHQMMFMWCSZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3.C5H11NO.C2H3F3/c1-19-8-9-21(27-26(31)30-10-4-5-11-30)18-23(19)20-16-24(29-12-14-32-15-13-29)28-25(17-20)33-22-6-2-3-7-22;1-6-2-4-7-5-3-6;1-2(3,4)5/h8-9,16-18,22H,2-7,10-15H2,1H3,(H,27,31);2-5H2,1H3;1H3.

What are the key properties of N-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane?

N-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane has a molecular weight of 635.77 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane is sourced from PubChem (CID 155700315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).