N-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide

C18H17F3N6O3S — CID 118249401

IUPACN-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3cn(C)nc3C(F)(F)F)c2)ccn1
InChIInChI=1S/C18H17F3N6O3S/c1-10-14(26-31(29,30)15-9-27(3)25-17(15)18(19,20)21)6-13(8-23-10)12-4-5-22-16(7-12)24-11(2)28/h4-9,26H,1-3H3,(H,22,24,28)
InChIKeyQIQDSKUZZQBCFQ-UHFFFAOYSA-N
MW454.43 g/mol
LogP2.96
Rot. Bonds5

About N-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118249401) has the molecular formula C18H17F3N6O3S and a molecular weight of 454.43 g/mol. Its IUPAC name is N-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118249401
Molecular FormulaC18H17F3N6O3S
Molecular Weight454.43 g/mol
Exact Mass454.10
IUPAC NameN-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3cn(C)nc3C(F)(F)F)c2)ccn1
InChIInChI=1S/C18H17F3N6O3S/c1-10-14(26-31(29,30)15-9-27(3)25-17(15)18(19,20)21)6-13(8-23-10)12-4-5-22-16(7-12)24-11(2)28/h4-9,26H,1-3H3,(H,22,24,28)
InChIKeyQIQDSKUZZQBCFQ-UHFFFAOYSA-N
XLogP2.96
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide (CID 118249401) is N-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3cn(C)nc3C(F)(F)F)c2)ccn1.
What is the InChIKey of N-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is QIQDSKUZZQBCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O3S/c1-10-14(26-31(29,30)15-9-27(3)25-17(15)18(19,20)21)6-13(8-23-10)12-4-5-22-16(7-12)24-11(2)28/h4-9,26H,1-3H3,(H,22,24,28).
What are the key properties of N-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 454.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118249401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).