3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C22H27N5OS — CID 157222940

IUPAC3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1
InChIInChI=1S/C22H27N5OS/c1-24-18-10-9-17-19(23)20(29-22(17)26-18)21(28)25-12-11-15-5-7-16(8-6-15)27-13-3-2-4-14-27/h5-10H,2-4,11-14,23H2,1H3,(H,24,26)(H,25,28)
InChIKeyMGKMPKIQZCFJLP-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.88
Rot. Bonds6

About 3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 157222940) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is 3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID157222940
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1
InChIInChI=1S/C22H27N5OS/c1-24-18-10-9-17-19(23)20(29-22(17)26-18)21(28)25-12-11-15-5-7-16(8-6-15)27-13-3-2-4-14-27/h5-10H,2-4,11-14,23H2,1H3,(H,24,26)(H,25,28)
InChIKeyMGKMPKIQZCFJLP-UHFFFAOYSA-N
XLogP3.88
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-ethoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 157222941
6-amino-N-[2-(4-piperidin-1-ylphenyl)ethyl]-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 159063091
3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 157264578
3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 153311077
3-amino-N-[2-[4-(2,8-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 146855503
[3-amino-6-(methylamino)thieno[2,3-b]pyridin-2-yl]-[2-(4-piperazin-1-ylphenyl)ethylamino]methanol
CID 167148202
3-amino-N-[2-[4-(2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155548649
3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 153311036
3-amino-6-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 167148190
N-[2-[4-(4-cyclobutylpiperazin-1-yl)phenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 153311012
3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-methoxythieno[2,3-b]pyridine-2-carboxamide
CID 157335931
3-amino-N-[2-[4-[3-(piperidin-4-ylcarbamoyl)piperazin-1-yl]phenyl]ethyl]-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 177184434

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 157222940) is 3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is CNc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.
What is the InChIKey of 3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MGKMPKIQZCFJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-24-18-10-9-17-19(23)20(29-22(17)26-18)21(28)25-12-11-15-5-7-16(8-6-15)27-13-3-2-4-14-27/h5-10H,2-4,11-14,23H2,1H3,(H,24,26)(H,25,28).
What are the key properties of 3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 157222940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).