6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile

C19H19FN4O — CID 90428603

IUPAC6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
SMILESCC(=O)N1c2ccc(F)cc2[C@H](Nc2ccc(C#N)cn2)[C@@H](C)[C@@H]1C
InChIInChI=1S/C19H19FN4O/c1-11-12(2)24(13(3)25)17-6-5-15(20)8-16(17)19(11)23-18-7-4-14(9-21)10-22-18/h4-8,10-12,19H,1-3H3,(H,22,23)/t11-,12-,19+/m0/s1
InChIKeyFVMQSLBRMIMYLP-SYTFOFBDSA-N
MW338.39 g/mol
LogP3.64
Rot. Bonds2

About 6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile

6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 90428603) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
PubChem CID90428603
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
SMILESCC(=O)N1c2ccc(F)cc2[C@H](Nc2ccc(C#N)cn2)[C@@H](C)[C@@H]1C
InChIInChI=1S/C19H19FN4O/c1-11-12(2)24(13(3)25)17-6-5-15(20)8-16(17)19(11)23-18-7-4-14(9-21)10-22-18/h4-8,10-12,19H,1-3H3,(H,22,23)/t11-,12-,19+/m0/s1
InChIKeyFVMQSLBRMIMYLP-SYTFOFBDSA-N
XLogP3.64
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile (CID 90428603) is 6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile is CC(=O)N1c2ccc(F)cc2[C@H](Nc2ccc(C#N)cn2)[C@@H](C)[C@@H]1C.
What is the InChIKey of 6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is FVMQSLBRMIMYLP-SYTFOFBDSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-11-12(2)24(13(3)25)17-6-5-15(20)8-16(17)19(11)23-18-7-4-14(9-21)10-22-18/h4-8,10-12,19H,1-3H3,(H,22,23)/t11-,12-,19+/m0/s1.
What are the key properties of 6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 338.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S,3R,4R)-1-acetyl-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 90428603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).