N-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C21H23N5OS — CID 169412186

IUPACN-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cnccn1)c1cncc(CC2CCN(Cc3cccs3)C2)c1
InChIInChI=1S/C21H23N5OS/c27-21(25-13-19-12-22-4-5-24-19)18-9-17(10-23-11-18)8-16-3-6-26(14-16)15-20-2-1-7-28-20/h1-2,4-5,7,9-12,16H,3,6,8,13-15H2,(H,25,27)
InChIKeyLMFSZNKXTKPEGU-UHFFFAOYSA-N
MW393.52 g/mol
LogP2.93
Rot. Bonds7

About N-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

N-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 169412186) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID169412186
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC NameN-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cnccn1)c1cncc(CC2CCN(Cc3cccs3)C2)c1
InChIInChI=1S/C21H23N5OS/c27-21(25-13-19-12-22-4-5-24-19)18-9-17(10-23-11-18)8-16-3-6-26(14-16)15-20-2-1-7-28-20/h1-2,4-5,7,9-12,16H,3,6,8,13-15H2,(H,25,27)
InChIKeyLMFSZNKXTKPEGU-UHFFFAOYSA-N
XLogP2.93
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-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-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42198673
3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896234
3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
CID 63388749
[(4aS,8aS)-6-(thiophen-2-ylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-3-ylmethanone
CID 98895268
6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1448003
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199
5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide
CID 146287978
3-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]methyl]benzoic acid
CID 122030782
pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 84512200
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 59074854
5-[[1-[(4,5-dimethylfuran-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 169421004
N-[[5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110095583

Frequently Asked Questions

What is the IUPAC name of N-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 169412186) is N-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is O=C(NCc1cnccn1)c1cncc(CC2CCN(Cc3cccs3)C2)c1.
What is the InChIKey of N-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is LMFSZNKXTKPEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c27-21(25-13-19-12-22-4-5-24-19)18-9-17(10-23-11-18)8-16-3-6-26(14-16)15-20-2-1-7-28-20/h1-2,4-5,7,9-12,16H,3,6,8,13-15H2,(H,25,27).
What are the key properties of N-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
N-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 393.52 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazin-2-ylmethyl)-5-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 169412186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).