N-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C26H26F3N5O4 — CID 90408063

IUPACN-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCO[C@H](CNC(=O)CO)C2)c1
InChIInChI=1S/C26H26F3N5O4/c1-16-22(11-20(12-31-16)33-25(37)18-3-2-4-19(9-18)26(27,28)29)17-5-6-30-23(10-17)34-7-8-38-21(14-34)13-32-24(36)15-35/h2-6,9-12,21,35H,7-8,13-15H2,1H3,(H,32,36)(H,33,37)/t21-/m1/s1
InChIKeyOZOULXXAHRUJJL-OAQYLSRUSA-N
MW529.52 g/mol
LogP3.04
Rot. Bonds7

About N-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90408063) has the molecular formula C26H26F3N5O4 and a molecular weight of 529.52 g/mol. Its IUPAC name is N-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90408063
Molecular FormulaC26H26F3N5O4
Molecular Weight529.52 g/mol
Exact Mass529.19
IUPAC NameN-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCO[C@H](CNC(=O)CO)C2)c1
InChIInChI=1S/C26H26F3N5O4/c1-16-22(11-20(12-31-16)33-25(37)18-3-2-4-19(9-18)26(27,28)29)17-5-6-30-23(10-17)34-7-8-38-21(14-34)13-32-24(36)15-35/h2-6,9-12,21,35H,7-8,13-15H2,1H3,(H,32,36)(H,33,37)/t21-/m1/s1
InChIKeyOZOULXXAHRUJJL-OAQYLSRUSA-N
XLogP3.04
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.52
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90408063) is N-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCO[C@H](CNC(=O)CO)C2)c1.
What is the InChIKey of N-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is OZOULXXAHRUJJL-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H26F3N5O4/c1-16-22(11-20(12-31-16)33-25(37)18-3-2-4-19(9-18)26(27,28)29)17-5-6-30-23(10-17)34-7-8-38-21(14-34)13-32-24(36)15-35/h2-6,9-12,21,35H,7-8,13-15H2,1H3,(H,32,36)(H,33,37)/t21-/m1/s1.
What are the key properties of N-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 529.52 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholin-4-yl]-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90408063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).