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

C22H19N5O2S — CID 164533009

IUPACN-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methyl-3-pyridinyl)quinoline-4-carboxamide
SMILESCc1ncccc1-c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1
InChIInChI=1S/C22H19N5O2S/c1-14-17(3-2-7-24-14)15-4-5-20-19(9-15)18(6-8-25-20)22(29)26-11-21(28)27-13-30-12-16(27)10-23/h2-9,16H,11-13H2,1H3,(H,26,29)/t16-/m1/s1
InChIKeyUSRJWFNTEMWYAC-MRXNPFEDSA-N
MW417.49 g/mol
LogP2.76
Rot. Bonds4

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

N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methyl-3-pyridinyl)quinoline-4-carboxamide (PubChem CID 164533009) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methyl-3-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methyl-3-pyridinyl)quinoline-4-carboxamide
PubChem CID164533009
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC NameN-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methyl-3-pyridinyl)quinoline-4-carboxamide
SMILESCc1ncccc1-c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1
InChIInChI=1S/C22H19N5O2S/c1-14-17(3-2-7-24-14)15-4-5-20-19(9-15)18(6-8-25-20)22(29)26-11-21(28)27-13-30-12-16(27)10-23/h2-9,16H,11-13H2,1H3,(H,26,29)/t16-/m1/s1
InChIKeyUSRJWFNTEMWYAC-MRXNPFEDSA-N
XLogP2.76
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[4-(3-methoxypropoxy)phenyl]quinoline-4-carboxamide
CID 175960381
N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(2-propan-2-ylpyrazol-3-yl)quinoline-4-carboxamide
CID 167118530
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(3,6-dihydro-2H-pyran-4-yl)quinoline-4-carboxamide
CID 170633372
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[6-(difluoromethyl)-3-pyridinyl]quinoline-4-carboxamide
CID 164533191
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methoxypropan-2-yl)quinoline-4-carboxamide
CID 170633400
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[3-(4-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide
CID 164532698
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(1-methoxyethyl)quinoline-4-carboxamide
CID 176889900
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(4,4-dimethylpiperidin-1-yl)quinoline-4-carboxamide
CID 164532771
6-(5-azaspiro[2.3]hexan-5-yl)-N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]quinoline-4-carboxamide
CID 167118519
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-morpholin-4-ylquinoline-4-carboxamide
CID 164532637
N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-[3-(3-methylphenyl)azetidin-1-yl]quinoline-4-carboxamide
CID 164533038
N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(4-hydroxyoxan-4-yl)quinoline-4-carboxamide
CID 175960402

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methyl-3-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methyl-3-pyridinyl)quinoline-4-carboxamide (CID 164533009) is N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methyl-3-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methyl-3-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methyl-3-pyridinyl)quinoline-4-carboxamide is Cc1ncccc1-c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1.
What is the InChIKey of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methyl-3-pyridinyl)quinoline-4-carboxamide?
The InChIKey is USRJWFNTEMWYAC-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-14-17(3-2-7-24-14)15-4-5-20-19(9-15)18(6-8-25-20)22(29)26-11-21(28)27-13-30-12-16(27)10-23/h2-9,16H,11-13H2,1H3,(H,26,29)/t16-/m1/s1.
What are the key properties of N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methyl-3-pyridinyl)quinoline-4-carboxamide?
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-(2-methyl-3-pyridinyl)quinoline-4-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 2.76, 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-methyl-3-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 164533009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).