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

C33H48F3N5O4 — CID 155700315

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CN1CCOCC1.Cc1ccc(NC(=O)N2CCCC2)cc1-c1cc(OC2CCCC2)nc(N2CCOCC2)c1
InChIInChI=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
InChIKeyNXHQMMFMWCSZRP-UHFFFAOYSA-N
MW635.77 g/mol
LogP6.36
Rot. Bonds5

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 NameN-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane
PubChem CID155700315
Molecular FormulaC33H48F3N5O4
Molecular Weight635.77 g/mol
Exact Mass635.37
IUPAC NameN-[3-(2-cyclopentyloxy-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyrrolidine-1-carboxamide;4-methylmorpholine;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CN1CCOCC1.Cc1ccc(NC(=O)N2CCCC2)cc1-c1cc(OC2CCCC2)nc(N2CCOCC2)c1
InChIInChI=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
InChIKeyNXHQMMFMWCSZRP-UHFFFAOYSA-N
XLogP6.36
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.77
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).

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