N-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide

C22H19N3O2S — CID 20885948

IUPACN-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(-c3ccncc3)csc2-n2cccc2)cc1
InChIInChI=1S/C22H19N3O2S/c1-27-18-6-4-16(5-7-18)14-24-21(26)20-19(17-8-10-23-11-9-17)15-28-22(20)25-12-2-3-13-25/h2-13,15H,14H2,1H3,(H,24,26)
InChIKeyKNPYTNFUHKJAEZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.54
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide

N-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide (PubChem CID 20885948) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide
PubChem CID20885948
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(-c3ccncc3)csc2-n2cccc2)cc1
InChIInChI=1S/C22H19N3O2S/c1-27-18-6-4-16(5-7-18)14-24-21(26)20-19(17-8-10-23-11-9-17)15-28-22(20)25-12-2-3-13-25/h2-13,15H,14H2,1H3,(H,24,26)
InChIKeyKNPYTNFUHKJAEZ-UHFFFAOYSA-N
XLogP4.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-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

2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329175
N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71840926
N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 53002283
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 2272217
5-N,6-N-dibenzyl-7-(4-methoxyphenyl)imidazo[1,2-a]pyridine-5,6-dicarboxamide
CID 121392249
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110851656
methyl 4-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxylate
CID 10448289
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide (CID 20885948) is N-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide is COc1ccc(CNC(=O)c2c(-c3ccncc3)csc2-n2cccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide?
The InChIKey is KNPYTNFUHKJAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-27-18-6-4-16(5-7-18)14-24-21(26)20-19(17-8-10-23-11-9-17)15-28-22(20)25-12-2-3-13-25/h2-13,15H,14H2,1H3,(H,24,26).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-pyridin-4-yl-2-pyrrol-1-ylthiophene-3-carboxamide is sourced from PubChem (CID 20885948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).