2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide

C26H26N4OS — CID 2381674

IUPAC2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)[C@H](c1cccs1)N1CCCC1
InChIInChI=1S/C26H26N4OS/c1-18(25(24-12-8-16-32-24)30-14-6-7-15-30)28-26(31)20-17-23(22-11-4-5-13-27-22)29-21-10-3-2-9-19(20)21/h2-5,8-13,16-18,25H,6-7,14-15H2,1H3,(H,28,31)/t18-,25+/m0/s1
InChIKeyGXFLAVSLENXMFS-AVRWGWEMSA-N
MW442.59 g/mol
LogP5.31
Rot. Bonds6

About 2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide

2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide (PubChem CID 2381674) has the molecular formula C26H26N4OS and a molecular weight of 442.59 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide
PubChem CID2381674
Molecular FormulaC26H26N4OS
Molecular Weight442.59 g/mol
Exact Mass442.18
IUPAC Name2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)[C@H](c1cccs1)N1CCCC1
InChIInChI=1S/C26H26N4OS/c1-18(25(24-12-8-16-32-24)30-14-6-7-15-30)28-26(31)20-17-23(22-11-4-5-13-27-22)29-21-10-3-2-9-19(20)21/h2-5,8-13,16-18,25H,6-7,14-15H2,1H3,(H,28,31)/t18-,25+/m0/s1
InChIKeyGXFLAVSLENXMFS-AVRWGWEMSA-N
XLogP5.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.59
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]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

Related Compounds

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 5136979
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 24619664
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
2-pyridin-2-yl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide
CID 24619819
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide
CID 40599644
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 46975756
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775333
methyl 3-cyclopropyl-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate
CID 166232224

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide (CID 2381674) is 2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide is C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)[C@H](c1cccs1)N1CCCC1.
What is the InChIKey of 2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide?
The InChIKey is GXFLAVSLENXMFS-AVRWGWEMSA-N. The full InChI is InChI=1S/C26H26N4OS/c1-18(25(24-12-8-16-32-24)30-14-6-7-15-30)28-26(31)20-17-23(22-11-4-5-13-27-22)29-21-10-3-2-9-19(20)21/h2-5,8-13,16-18,25H,6-7,14-15H2,1H3,(H,28,31)/t18-,25+/m0/s1.
What are the key properties of 2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide?
2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide has a molecular weight of 442.59 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 2381674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).