N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide

C22H24N4O2S — CID 22459274

IUPACN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccncc3)s2)cc1N1CCN(C)CC1
InChIInChI=1S/C22H24N4O2S/c1-25-11-13-26(14-12-25)18-15-17(3-4-19(18)28-2)24-22(27)21-6-5-20(29-21)16-7-9-23-10-8-16/h3-10,15H,11-14H2,1-2H3,(H,24,27)
InChIKeyWUEFMIXPOFEJDD-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.82
Rot. Bonds5

About N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 22459274) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide
PubChem CID22459274
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccncc3)s2)cc1N1CCN(C)CC1
InChIInChI=1S/C22H24N4O2S/c1-25-11-13-26(14-12-25)18-15-17(3-4-19(18)28-2)24-22(27)21-6-5-20(29-21)16-7-9-23-10-8-16/h3-10,15H,11-14H2,1-2H3,(H,24,27)
InChIKeyWUEFMIXPOFEJDD-UHFFFAOYSA-N
XLogP3.82
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-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

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide (CID 22459274) is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide is COc1ccc(NC(=O)c2ccc(-c3ccncc3)s2)cc1N1CCN(C)CC1.
What is the InChIKey of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is WUEFMIXPOFEJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-25-11-13-26(14-12-25)18-15-17(3-4-19(18)28-2)24-22(27)21-6-5-20(29-21)16-7-9-23-10-8-16/h3-10,15H,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide?
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-5-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 22459274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).