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

C21H16FN5O2S — CID 164533036

IUPACN-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-fluoro-4-pyridinyl)quinoline-4-carboxamide
SMILESN#C[C@@H]1CSCN1C(=O)CNC(=O)c1ccnc2ccc(-c3ccnc(F)c3)cc12
InChIInChI=1S/C21H16FN5O2S/c22-19-8-14(3-5-25-19)13-1-2-18-17(7-13)16(4-6-24-18)21(29)26-10-20(28)27-12-30-11-15(27)9-23/h1-8,15H,10-12H2,(H,26,29)/t15-/m1/s1
InChIKeyCFLDQRFVNWJHFE-OAHLLOKOSA-N
MW421.46 g/mol
LogP2.59
Rot. Bonds4

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

N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-fluoro-4-pyridinyl)quinoline-4-carboxamide (PubChem CID 164533036) 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-(2-fluoro-4-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-fluoro-4-pyridinyl)quinoline-4-carboxamide
PubChem CID164533036
Molecular FormulaC21H16FN5O2S
Molecular Weight421.46 g/mol
Exact Mass421.10
IUPAC NameN-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-fluoro-4-pyridinyl)quinoline-4-carboxamide
SMILESN#C[C@@H]1CSCN1C(=O)CNC(=O)c1ccnc2ccc(-c3ccnc(F)c3)cc12
InChIInChI=1S/C21H16FN5O2S/c22-19-8-14(3-5-25-19)13-1-2-18-17(7-13)16(4-6-24-18)21(29)26-10-20(28)27-12-30-11-15(27)9-23/h1-8,15H,10-12H2,(H,26,29)/t15-/m1/s1
InChIKeyCFLDQRFVNWJHFE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-fluoro-4-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-fluoro-4-pyridinyl)quinoline-4-carboxamide (CID 164533036) is N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-fluoro-4-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-fluoro-4-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-fluoro-4-pyridinyl)quinoline-4-carboxamide is N#C[C@@H]1CSCN1C(=O)CNC(=O)c1ccnc2ccc(-c3ccnc(F)c3)cc12.
What is the InChIKey of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-fluoro-4-pyridinyl)quinoline-4-carboxamide?
The InChIKey is CFLDQRFVNWJHFE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H16FN5O2S/c22-19-8-14(3-5-25-19)13-1-2-18-17(7-13)16(4-6-24-18)21(29)26-10-20(28)27-12-30-11-15(27)9-23/h1-8,15H,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-(2-fluoro-4-pyridinyl)quinoline-4-carboxamide?
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-fluoro-4-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-(2-fluoro-4-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 164533036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).