N-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide

C24H23F3N4O2 — CID 86297478

IUPACN-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)cc(N)n1
InChIInChI=1S/C24H23F3N4O2/c1-15-5-6-18(29-23(32)16-3-2-4-17(11-16)24(25,26)27)12-20(15)21-13-19(14-22(28)30-21)31-7-9-33-10-8-31/h2-6,11-14H,7-10H2,1H3,(H2,28,30)(H,29,32)
InChIKeyHWTGCLPVSGXZOV-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.75
Rot. Bonds4

About N-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 86297478) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is N-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID86297478
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC NameN-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)cc(N)n1
InChIInChI=1S/C24H23F3N4O2/c1-15-5-6-18(29-23(32)16-3-2-4-17(11-16)24(25,26)27)12-20(15)21-13-19(14-22(28)30-21)31-7-9-33-10-8-31/h2-6,11-14H,7-10H2,1H3,(H2,28,30)(H,29,32)
InChIKeyHWTGCLPVSGXZOV-UHFFFAOYSA-N
XLogP4.75
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 86297478) is N-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)cc(N)n1.
What is the InChIKey of N-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HWTGCLPVSGXZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-15-5-6-18(29-23(32)16-3-2-4-17(11-16)24(25,26)27)12-20(15)21-13-19(14-22(28)30-21)31-7-9-33-10-8-31/h2-6,11-14H,7-10H2,1H3,(H2,28,30)(H,29,32).
What are the key properties of N-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 456.47 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 86297478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).