N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C25H26F3N5O2 — CID 90456483

IUPACN-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N(C)C)c(N2CCOCC2)c1
InChIInChI=1S/C25H26F3N5O2/c1-16-21(18-12-22(23(30-14-18)32(2)3)33-7-9-35-10-8-33)13-20(15-29-16)31-24(34)17-5-4-6-19(11-17)25(26,27)28/h4-6,11-15H,7-10H2,1-3H3,(H,31,34)
InChIKeyIJFWZMGJVQXAHT-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.63
Rot. Bonds5

About N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90456483) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90456483
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC NameN-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N(C)C)c(N2CCOCC2)c1
InChIInChI=1S/C25H26F3N5O2/c1-16-21(18-12-22(23(30-14-18)32(2)3)33-7-9-35-10-8-33)13-20(15-29-16)31-24(34)17-5-4-6-19(11-17)25(26,27)28/h4-6,11-15H,7-10H2,1-3H3,(H,31,34)
InChIKeyIJFWZMGJVQXAHT-UHFFFAOYSA-N
XLogP4.63
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90456483) is N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N(C)C)c(N2CCOCC2)c1.
What is the InChIKey of N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is IJFWZMGJVQXAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-16-21(18-12-22(23(30-14-18)32(2)3)33-7-9-35-10-8-33)13-20(15-29-16)31-24(34)17-5-4-6-19(11-17)25(26,27)28/h4-6,11-15H,7-10H2,1-3H3,(H,31,34).
What are the key properties of N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 485.51 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(dimethylamino)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90456483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).