N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

C28H24ClN3OS — CID 5193342

IUPACN,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(-n3cccc3)c2c(C)c1Cl
InChIInChI=1S/C28H24ClN3OS/c1-19-23-25(31-15-9-10-16-31)26(34-27(23)30-20(2)24(19)29)28(33)32(17-21-11-5-3-6-12-21)18-22-13-7-4-8-14-22/h3-16H,17-18H2,1-2H3
InChIKeyBGGPRWQZKXYVIG-UHFFFAOYSA-N
MW486.04 g/mol
LogP7.20
Rot. Bonds6

About N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 5193342) has the molecular formula C28H24ClN3OS and a molecular weight of 486.04 g/mol. Its IUPAC name is N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID5193342
Molecular FormulaC28H24ClN3OS
Molecular Weight486.04 g/mol
Exact Mass485.13
IUPAC NameN,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(-n3cccc3)c2c(C)c1Cl
InChIInChI=1S/C28H24ClN3OS/c1-19-23-25(31-15-9-10-16-31)26(34-27(23)30-20(2)24(19)29)28(33)32(17-21-11-5-3-6-12-21)18-22-13-7-4-8-14-22/h3-16H,17-18H2,1-2H3
InChIKeyBGGPRWQZKXYVIG-UHFFFAOYSA-N
XLogP7.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.04
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-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

N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 75466636
N-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide
CID 5026450
5-chloro-4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide
CID 5302645
N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 70606713
N-benzyl-4-methyl-2-oxo-N-(2-phenylethyl)-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 24676564
N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide
CID 16762602
3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479810
N-benzyl-N,2,3,5-tetramethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23766608
3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479809
N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24662376
N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 55669656
N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 59800755

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (CID 5193342) is N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(-n3cccc3)c2c(C)c1Cl.
What is the InChIKey of N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BGGPRWQZKXYVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3OS/c1-19-23-25(31-15-9-10-16-31)26(34-27(23)30-20(2)24(19)29)28(33)32(17-21-11-5-3-6-12-21)18-22-13-7-4-8-14-22/h3-16H,17-18H2,1-2H3.
What are the key properties of N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 486.04 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 5193342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).