3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide

C22H21N3OS — CID 46353275

IUPAC3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2sc3ncccc3c2-n2c(C)ccc2C)c1
InChIInChI=1S/C22H21N3OS/c1-14-6-4-7-17(12-14)13-24-21(26)20-19(25-15(2)9-10-16(25)3)18-8-5-11-23-22(18)27-20/h4-12H,13H2,1-3H3,(H,24,26)
InChIKeyQZCNKHSGUMJYOG-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.94
Rot. Bonds4

About 3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide

3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 46353275) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID46353275
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2sc3ncccc3c2-n2c(C)ccc2C)c1
InChIInChI=1S/C22H21N3OS/c1-14-6-4-7-17(12-14)13-24-21(26)20-19(25-15(2)9-10-16(25)3)18-8-5-11-23-22(18)27-20/h4-12H,13H2,1-3H3,(H,24,26)
InChIKeyQZCNKHSGUMJYOG-UHFFFAOYSA-N
XLogP4.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 46353248
N-[(4-chlorophenyl)methyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 46353252
3-(2,5-dimethylpyrrol-1-yl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 46353286
N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 46353271
[3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 92875746
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 62179516
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569128
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[(3-methylphenyl)methyl]isoquinoline-1-carboxamide
CID 110850819
3-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 107521456
2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33283292
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (CID 46353275) is 3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1cccc(CNC(=O)c2sc3ncccc3c2-n2c(C)ccc2C)c1.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QZCNKHSGUMJYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-14-6-4-7-17(12-14)13-24-21(26)20-19(25-15(2)9-10-16(25)3)18-8-5-11-23-22(18)27-20/h4-12H,13H2,1-3H3,(H,24,26).
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-N-[(3-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46353275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).