N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C24H21F3N6O4S — CID 121250503

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3cn[nH]c3C(F)(F)F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C24H21F3N6O4S/c1-12-9-13(2)20(14(3)10-12)37-23-15(22(34)33-38(35,36)19-6-4-5-18(28)31-19)7-8-17(30-23)16-11-29-32-21(16)24(25,26)27/h4-11H,1-3H3,(H2,28,31)(H,29,32)(H,33,34)
InChIKeyLBWSYXHGWOBHFN-UHFFFAOYSA-N
MW546.53 g/mol
LogP4.30
Rot. Bonds6

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121250503) has the molecular formula C24H21F3N6O4S and a molecular weight of 546.53 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121250503
Molecular FormulaC24H21F3N6O4S
Molecular Weight546.53 g/mol
Exact Mass546.13
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3cn[nH]c3C(F)(F)F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C24H21F3N6O4S/c1-12-9-13(2)20(14(3)10-12)37-23-15(22(34)33-38(35,36)19-6-4-5-18(28)31-19)7-8-17(30-23)16-11-29-32-21(16)24(25,26)27/h4-11H,1-3H3,(H2,28,31)(H,29,32)(H,33,34)
InChIKeyLBWSYXHGWOBHFN-UHFFFAOYSA-N
XLogP4.30
TPSA152.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.53
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121250503) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3cn[nH]c3C(F)(F)F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is LBWSYXHGWOBHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O4S/c1-12-9-13(2)20(14(3)10-12)37-23-15(22(34)33-38(35,36)19-6-4-5-18(28)31-19)7-8-17(30-23)16-11-29-32-21(16)24(25,26)27/h4-11H,1-3H3,(H2,28,31)(H,29,32)(H,33,34).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 546.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121250503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).