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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Related Compounds

2-ethoxy-N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl)nicotinamide
CID 71806514
N-(quinolin-5-yl)-6-((tetrahydro-2H-pyran-4-yl)oxy)nicotinamide
CID 91815355
N-[2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 10413018
N-[1-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]ethyl]quinoline-8-carboxamide
CID 56966138
N-[1-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]ethyl]quinoline-3-carboxamide
CID 56966285
N-[[6-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]quinoline-8-carboxamide
CID 67508903
N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]ethyl]quinoline-3-carboxamide
CID 67509155
N-[1-[5-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]ethyl]quinoline-8-carboxamide
CID 67510216
N-[(2R,4S)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69430990
N-[(2S,4R)-2-methyl-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69430991
N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]quinoline-8-carboxamide
CID 124095556
6-methoxy-N-[(1R)-1-[4-[7-(trifluoromethyl)quinolin-4-yl]cyclohexyl]propyl]pyridine-3-carboxamide
CID 142471210

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).