N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide

C19H18F6N4O4S — CID 129164637

IUPACN-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)Nc1cc(C(F)(F)F)n(C2CC2)c(=O)c1NC
InChIInChI=1S/C19H18F6N4O4S/c1-3-34(32,33)12-6-9(18(20,21)22)8-27-15(12)16(30)28-11-7-13(19(23,24)25)29(10-4-5-10)17(31)14(11)26-2/h6-8,10,26H,3-5H2,1-2H3,(H,28,30)
InChIKeyBKKNOURQEBCHCO-UHFFFAOYSA-N
MW512.43 g/mol
LogP3.70
Rot. Bonds6

About N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide

N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 129164637) has the molecular formula C19H18F6N4O4S and a molecular weight of 512.43 g/mol. Its IUPAC name is N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID129164637
Molecular FormulaC19H18F6N4O4S
Molecular Weight512.43 g/mol
Exact Mass512.10
IUPAC NameN-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)Nc1cc(C(F)(F)F)n(C2CC2)c(=O)c1NC
InChIInChI=1S/C19H18F6N4O4S/c1-3-34(32,33)12-6-9(18(20,21)22)8-27-15(12)16(30)28-11-7-13(19(23,24)25)29(10-4-5-10)17(31)14(11)26-2/h6-8,10,26H,3-5H2,1-2H3,(H,28,30)
InChIKeyBKKNOURQEBCHCO-UHFFFAOYSA-N
XLogP3.70
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide (CID 129164637) is N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide is CCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)Nc1cc(C(F)(F)F)n(C2CC2)c(=O)c1NC.
What is the InChIKey of N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BKKNOURQEBCHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N4O4S/c1-3-34(32,33)12-6-9(18(20,21)22)8-27-15(12)16(30)28-11-7-13(19(23,24)25)29(10-4-5-10)17(31)14(11)26-2/h6-8,10,26H,3-5H2,1-2H3,(H,28,30).
What are the key properties of N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 512.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-3-(methylamino)-2-oxo-6-(trifluoromethyl)-4-pyridinyl]-3-ethylsulfonyl-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 129164637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).