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

C19H19F3N6O3S — CID 118302659

IUPACN-[4-[4,6-dimethyl-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)c2C)ccn1
InChIInChI=1S/C19H19F3N6O3S/c1-10-14(13-5-6-23-16(7-13)25-12(3)29)8-24-11(2)17(10)27-32(30,31)15-9-28(4)26-18(15)19(20,21)22/h5-9,27H,1-4H3,(H,23,25,29)
InChIKeyMIEBREOUFNXKIR-UHFFFAOYSA-N
MW468.46 g/mol
LogP3.27
Rot. Bonds5

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

N-[4-[4,6-dimethyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118302659) has the molecular formula C19H19F3N6O3S and a molecular weight of 468.46 g/mol. Its IUPAC name is N-[4-[4,6-dimethyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4,6-dimethyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118302659
Molecular FormulaC19H19F3N6O3S
Molecular Weight468.46 g/mol
Exact Mass468.12
IUPAC NameN-[4-[4,6-dimethyl-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)c2C)ccn1
InChIInChI=1S/C19H19F3N6O3S/c1-10-14(13-5-6-23-16(7-13)25-12(3)29)8-24-11(2)17(10)27-32(30,31)15-9-28(4)26-18(15)19(20,21)22/h5-9,27H,1-4H3,(H,23,25,29)
InChIKeyMIEBREOUFNXKIR-UHFFFAOYSA-N
XLogP3.27
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4,6-dimethyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4,6-dimethyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide (CID 118302659) is N-[4-[4,6-dimethyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4,6-dimethyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4,6-dimethyl-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)c2C)ccn1.
What is the InChIKey of N-[4-[4,6-dimethyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is MIEBREOUFNXKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O3S/c1-10-14(13-5-6-23-16(7-13)25-12(3)29)8-24-11(2)17(10)27-32(30,31)15-9-28(4)26-18(15)19(20,21)22/h5-9,27H,1-4H3,(H,23,25,29).
What are the key properties of N-[4-[4,6-dimethyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[4,6-dimethyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 468.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4,6-dimethyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118302659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).