3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide

C16H21N3OS — CID 106015905

IUPAC3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCCCC2CCCC2)sc2ncccc12
InChIInChI=1S/C16H21N3OS/c17-13-12-8-4-10-19-16(12)21-14(13)15(20)18-9-3-7-11-5-1-2-6-11/h4,8,10-11H,1-3,5-7,9,17H2,(H,18,20)
InChIKeyBREOPVFAVSVLDP-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.58
Rot. Bonds5

About 3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 106015905) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID106015905
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCCCC2CCCC2)sc2ncccc12
InChIInChI=1S/C16H21N3OS/c17-13-12-8-4-10-19-16(12)21-14(13)15(20)18-9-3-7-11-5-1-2-6-11/h4,8,10-11H,1-3,5-7,9,17H2,(H,18,20)
InChIKeyBREOPVFAVSVLDP-UHFFFAOYSA-N
XLogP3.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

A-841720
CID 11559235
3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 612420
A-794278
CID 11537456
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
3-Amino-N-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1023422
3-Amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
CID 613528
A-794282
CID 11530404
3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
13-(4-Methylphenyl)-10-thia-3,8,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one
CID 16659645
5-(4-Bromophenyl)-13-(prop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54580485
5-(4-Methylphenyl)-13-(2-methylprop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54585405

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide (CID 106015905) is 3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)NCCCC2CCCC2)sc2ncccc12.
What is the InChIKey of 3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BREOPVFAVSVLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c17-13-12-8-4-10-19-16(12)21-14(13)15(20)18-9-3-7-11-5-1-2-6-11/h4,8,10-11H,1-3,5-7,9,17H2,(H,18,20).
What are the key properties of 3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 106015905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).