N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C24H24F3N5O4S — CID 130416822

IUPACN-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(CS(C)(=O)=O)c(N2CCOCC2)c1
InChIInChI=1S/C24H24F3N5O4S/c1-15-19(11-18(13-29-15)31-23(33)16-3-4-28-22(10-16)24(25,26)27)17-9-21(32-5-7-36-8-6-32)20(30-12-17)14-37(2,34)35/h3-4,9-13H,5-8,14H2,1-2H3,(H,31,33)
InChIKeyFVRMZGPENNVJLO-UHFFFAOYSA-N
MW535.55 g/mol
LogP3.50
Rot. Bonds6

About N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 130416822) has the molecular formula C24H24F3N5O4S and a molecular weight of 535.55 g/mol. Its IUPAC name is N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID130416822
Molecular FormulaC24H24F3N5O4S
Molecular Weight535.55 g/mol
Exact Mass535.15
IUPAC NameN-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(CS(C)(=O)=O)c(N2CCOCC2)c1
InChIInChI=1S/C24H24F3N5O4S/c1-15-19(11-18(13-29-15)31-23(33)16-3-4-28-22(10-16)24(25,26)27)17-9-21(32-5-7-36-8-6-32)20(30-12-17)14-37(2,34)35/h3-4,9-13H,5-8,14H2,1-2H3,(H,31,33)
InChIKeyFVRMZGPENNVJLO-UHFFFAOYSA-N
XLogP3.50
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 130416822) is N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(CS(C)(=O)=O)c(N2CCOCC2)c1.
What is the InChIKey of N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is FVRMZGPENNVJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O4S/c1-15-19(11-18(13-29-15)31-23(33)16-3-4-28-22(10-16)24(25,26)27)17-9-21(32-5-7-36-8-6-32)20(30-12-17)14-37(2,34)35/h3-4,9-13H,5-8,14H2,1-2H3,(H,31,33).
What are the key properties of N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 535.55 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 130416822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).