N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide

C21H16FN5O2S — CID 164532707

IUPACN-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide
SMILESN#C[C@@H]1CSCN1C(=O)CNC(=O)c1ccnc2ccc(-c3ccc(F)cn3)cc12
InChIInChI=1S/C21H16FN5O2S/c22-14-2-4-18(25-9-14)13-1-3-19-17(7-13)16(5-6-24-19)21(29)26-10-20(28)27-12-30-11-15(27)8-23/h1-7,9,15H,10-12H2,(H,26,29)/t15-/m1/s1
InChIKeyQMJNQRYLOCIWLK-OAHLLOKOSA-N
MW421.46 g/mol
LogP2.59
Rot. Bonds4

About N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide

N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide (PubChem CID 164532707) has the molecular formula C21H16FN5O2S and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide
PubChem CID164532707
Molecular FormulaC21H16FN5O2S
Molecular Weight421.46 g/mol
Exact Mass421.10
IUPAC NameN-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide
SMILESN#C[C@@H]1CSCN1C(=O)CNC(=O)c1ccnc2ccc(-c3ccc(F)cn3)cc12
InChIInChI=1S/C21H16FN5O2S/c22-14-2-4-18(25-9-14)13-1-3-19-17(7-13)16(5-6-24-19)21(29)26-10-20(28)27-12-30-11-15(27)8-23/h1-7,9,15H,10-12H2,(H,26,29)/t15-/m1/s1
InChIKeyQMJNQRYLOCIWLK-OAHLLOKOSA-N
XLogP2.59
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide (CID 164532707) is N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide is N#C[C@@H]1CSCN1C(=O)CNC(=O)c1ccnc2ccc(-c3ccc(F)cn3)cc12.
What is the InChIKey of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide?
The InChIKey is QMJNQRYLOCIWLK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H16FN5O2S/c22-14-2-4-18(25-9-14)13-1-3-19-17(7-13)16(5-6-24-19)21(29)26-10-20(28)27-12-30-11-15(27)8-23/h1-7,9,15H,10-12H2,(H,26,29)/t15-/m1/s1.
What are the key properties of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide?
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(5-fluoro-2-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 164532707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).