N-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide

C21H20ClN3O2S — CID 10476857

IUPACN-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C21H20ClN3O2S/c1-13(26)23-18-16-9-10-17(14-5-7-15(22)8-6-14)24-20(16)28-19(18)21(27)25-11-3-2-4-12-25/h5-10H,2-4,11-12H2,1H3,(H,23,26)
InChIKeyBWKYIJYFALBCKS-UHFFFAOYSA-N
MW413.93 g/mol
LogP5.20
Rot. Bonds3

About N-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide

N-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide (PubChem CID 10476857) has the molecular formula C21H20ClN3O2S and a molecular weight of 413.93 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide
PubChem CID10476857
Molecular FormulaC21H20ClN3O2S
Molecular Weight413.93 g/mol
Exact Mass413.10
IUPAC NameN-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C21H20ClN3O2S/c1-13(26)23-18-16-9-10-17(14-5-7-15(22)8-6-14)24-20(16)28-19(18)21(27)25-11-3-2-4-12-25/h5-10H,2-4,11-12H2,1H3,(H,23,26)
InChIKeyBWKYIJYFALBCKS-UHFFFAOYSA-N
XLogP5.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.93
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide 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-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide
CID 11754873
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 23943390
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 23744160
1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897556
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23971348
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 23831223
N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide
CID 10482067
3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772153
4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332289
[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23943421
[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55507288
N-[4-[3-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839374

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of N-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide (CID 10476857) is N-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide is CC(=O)Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(Cl)cc3)ccc12.
What is the InChIKey of N-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is BWKYIJYFALBCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2S/c1-13(26)23-18-16-9-10-17(14-5-7-15(22)8-6-14)24-20(16)28-19(18)21(27)25-11-3-2-4-12-25/h5-10H,2-4,11-12H2,1H3,(H,23,26).
What are the key properties of N-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide?
N-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 413.93 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 10476857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).