N-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C19H16F3N3O4S — CID 3693588

IUPACN-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1ccc2cc(N(C(=O)c3ccc(OCC(F)(F)F)nc3)S(C)(=O)=O)ccc2n1
InChIInChI=1S/C19H16F3N3O4S/c1-12-3-4-13-9-15(6-7-16(13)24-12)25(30(2,27)28)18(26)14-5-8-17(23-10-14)29-11-19(20,21)22/h3-10H,11H2,1-2H3
InChIKeyWIIDWCQNSBVLLR-UHFFFAOYSA-N
MW439.42 g/mol
LogP3.49
Rot. Bonds5

About N-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 3693588) has the molecular formula C19H16F3N3O4S and a molecular weight of 439.42 g/mol. Its IUPAC name is N-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID3693588
Molecular FormulaC19H16F3N3O4S
Molecular Weight439.42 g/mol
Exact Mass439.08
IUPAC NameN-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1ccc2cc(N(C(=O)c3ccc(OCC(F)(F)F)nc3)S(C)(=O)=O)ccc2n1
InChIInChI=1S/C19H16F3N3O4S/c1-12-3-4-13-9-15(6-7-16(13)24-12)25(30(2,27)28)18(26)14-5-8-17(23-10-14)29-11-19(20,21)22/h3-10H,11H2,1-2H3
InChIKeyWIIDWCQNSBVLLR-UHFFFAOYSA-N
XLogP3.49
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 3693588) is N-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is Cc1ccc2cc(N(C(=O)c3ccc(OCC(F)(F)F)nc3)S(C)(=O)=O)ccc2n1.
What is the InChIKey of N-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is WIIDWCQNSBVLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4S/c1-12-3-4-13-9-15(6-7-16(13)24-12)25(30(2,27)28)18(26)14-5-8-17(23-10-14)29-11-19(20,21)22/h3-10H,11H2,1-2H3.
What are the key properties of N-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 439.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-6-yl)-N-methylsulfonyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 3693588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).