6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

C23H26ClN3OS — CID 153311019

IUPAC6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)NCCc2ccc(C3CCN(C)CC3)cc2)sc2nc(Cl)ccc12
InChIInChI=1S/C23H26ClN3OS/c1-15-19-7-8-20(24)26-23(19)29-21(15)22(28)25-12-9-16-3-5-17(6-4-16)18-10-13-27(2)14-11-18/h3-8,18H,9-14H2,1-2H3,(H,25,28)
InChIKeyKDLUVEOZAZRKHT-UHFFFAOYSA-N
MW428.00 g/mol
LogP5.04
Rot. Bonds5

About 6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 153311019) has the molecular formula C23H26ClN3OS and a molecular weight of 428.00 g/mol. Its IUPAC name is 6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID153311019
Molecular FormulaC23H26ClN3OS
Molecular Weight428.00 g/mol
Exact Mass427.15
IUPAC Name6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)NCCc2ccc(C3CCN(C)CC3)cc2)sc2nc(Cl)ccc12
InChIInChI=1S/C23H26ClN3OS/c1-15-19-7-8-20(24)26-23(19)29-21(15)22(28)25-12-9-16-3-5-17(6-4-16)18-10-13-27(2)14-11-18/h3-8,18H,9-14H2,1-2H3,(H,25,28)
InChIKeyKDLUVEOZAZRKHT-UHFFFAOYSA-N
XLogP5.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.00
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 714286
3-amino-N-(4-chlorobenzyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004121
3-(Benzoylamino)-N-(4-chlorobenzyl)-4,5,6-trimethylthieno[2,3-B]pyridine-2-carboxamide
CID 4917517
5-(4-Chlorophenyl)-13-(ethylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118398
5-(4-Chlorophenyl)-13-(methylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16118540
4-chloro-N-[3-(4-propylpiperazin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
CID 16008842
4-chloro-N-[3-(3-methyl-1-piperidinyl)propyl]-2-thieno[3,2-c]quinolinecarboxamide
CID 16008866
3-amino-6-benzyl-N-(3-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 16008929
3-amino-N-(3-chloro-2-methylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 16008964
4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
CID 16187480
N-[3-(4-benzylpiperidin-1-yl)propyl]-4-chlorothieno[3,2-c]quinoline-2-carboxamide
CID 44522337
3-amino-5-chloro-4,6-dimethyl-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 53382504

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 153311019) is 6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)NCCc2ccc(C3CCN(C)CC3)cc2)sc2nc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KDLUVEOZAZRKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3OS/c1-15-19-7-8-20(24)26-23(19)29-21(15)22(28)25-12-9-16-3-5-17(6-4-16)18-10-13-27(2)14-11-18/h3-8,18H,9-14H2,1-2H3,(H,25,28).
What are the key properties of 6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 428.00 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 153311019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).