5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide

C22H23N3OS — CID 28980406

IUPAC5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide
SMILESCc1ccccc1CN1CCC[C@@H]1c1ccc(C(=O)Nc2ccncc2)s1
InChIInChI=1S/C22H23N3OS/c1-16-5-2-3-6-17(16)15-25-14-4-7-19(25)20-8-9-21(27-20)22(26)24-18-10-12-23-13-11-18/h2-3,5-6,8-13,19H,4,7,14-15H2,1H3,(H,23,24,26)/t19-/m1/s1
InChIKeyIBGBEJNBYOCNGS-LJQANCHMSA-N
MW377.51 g/mol
LogP5.04
Rot. Bonds5

About 5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide

5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 28980406) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide
PubChem CID28980406
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide
SMILESCc1ccccc1CN1CCC[C@@H]1c1ccc(C(=O)Nc2ccncc2)s1
InChIInChI=1S/C22H23N3OS/c1-16-5-2-3-6-17(16)15-25-14-4-7-19(25)20-8-9-21(27-20)22(26)24-18-10-12-23-13-11-18/h2-3,5-6,8-13,19H,4,7,14-15H2,1H3,(H,23,24,26)/t19-/m1/s1
InChIKeyIBGBEJNBYOCNGS-LJQANCHMSA-N
XLogP5.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-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

1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane
CID 112826237
5-[(2R)-1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 30854184
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 45193553
5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 31105543
5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 31042700
5-[(2S)-1-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 31162447
5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 28882648
N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 31104740
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
CID 31125678
5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
CID 31125676
N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[1-[(E)-hex-2-enyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45197540

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of 5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide (CID 28980406) is 5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide is Cc1ccccc1CN1CCC[C@@H]1c1ccc(C(=O)Nc2ccncc2)s1.
What is the InChIKey of 5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is IBGBEJNBYOCNGS-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-16-5-2-3-6-17(16)15-25-14-4-7-19(25)20-8-9-21(27-20)22(26)24-18-10-12-23-13-11-18/h2-3,5-6,8-13,19H,4,7,14-15H2,1H3,(H,23,24,26)/t19-/m1/s1.
What are the key properties of 5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide?
5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 28980406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).