2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide

C17H19FN4O — CID 90435022

IUPAC2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide
SMILESC[C@H]1[C@H](C)Nc2ccc(F)cc2[C@@H]1Nc1ncccc1C(N)=O
InChIInChI=1S/C17H19FN4O/c1-9-10(2)21-14-6-5-11(18)8-13(14)15(9)22-17-12(16(19)23)4-3-7-20-17/h3-10,15,21H,1-2H3,(H2,19,23)(H,20,22)/t9-,10-,15+/m0/s1
InChIKeyJARHKDFMWBRGCY-AMJWSMQMSA-N
MW314.36 g/mol
LogP2.92
Rot. Bonds3

About 2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide

2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 90435022) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide
PubChem CID90435022
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide
SMILESC[C@H]1[C@H](C)Nc2ccc(F)cc2[C@@H]1Nc1ncccc1C(N)=O
InChIInChI=1S/C17H19FN4O/c1-9-10(2)21-14-6-5-11(18)8-13(14)15(9)22-17-12(16(19)23)4-3-7-20-17/h3-10,15,21H,1-2H3,(H2,19,23)(H,20,22)/t9-,10-,15+/m0/s1
InChIKeyJARHKDFMWBRGCY-AMJWSMQMSA-N
XLogP2.92
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 140712018
2-[[(3S)-oxolan-3-yl]amino]pyridine-3-carboxamide
CID 139960156
2-[(3S)-5-fluoro-2,3-dihydro-1-benzofuran-3-yl]pyridine-3-carboxamide
CID 140712174
2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84574316
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 107143766
(3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole
CID 170593238
2-(methylcarbamoylamino)pyridine-3-carboxamide
CID 88995807
2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide
CID 114147498
2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide
CID 62977992
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875
2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide
CID 165177944

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide (CID 90435022) is 2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide is C[C@H]1[C@H](C)Nc2ccc(F)cc2[C@@H]1Nc1ncccc1C(N)=O.
What is the InChIKey of 2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is JARHKDFMWBRGCY-AMJWSMQMSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-9-10(2)21-14-6-5-11(18)8-13(14)15(9)22-17-12(16(19)23)4-3-7-20-17/h3-10,15,21H,1-2H3,(H2,19,23)(H,20,22)/t9-,10-,15+/m0/s1.
What are the key properties of 2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide?
2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3S,4R)-6-fluoro-2,3-dimethyl-1,2,3,4-tetrahydroquinolin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 90435022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).