3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C14H17N3O2S — CID 114469848

IUPAC3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1sc2ncccc2c1N
InChIInChI=1S/C14H17N3O2S/c1-9(2)8-19-7-6-16-13(18)12-11(15)10-4-3-5-17-14(10)20-12/h3-5H,1,6-8,15H2,2H3,(H,16,18)
InChIKeyYOOAJRRQBCVGAN-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.20
Rot. Bonds6

About 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 114469848) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID114469848
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1sc2ncccc2c1N
InChIInChI=1S/C14H17N3O2S/c1-9(2)8-19-7-6-16-13(18)12-11(15)10-4-3-5-17-14(10)20-12/h3-5H,1,6-8,15H2,2H3,(H,16,18)
InChIKeyYOOAJRRQBCVGAN-UHFFFAOYSA-N
XLogP2.20
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide
CID 114469852
3-amino-7-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide
CID 107113709
3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 83117309
3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide
CID 113465232
3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide
CID 107519429
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 80691393
1-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinoline-4-carboxamide
CID 106766441
3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 106015905
3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 106423442
N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 22577899
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 115457149
3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 115700346

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 114469848) is 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide is C=C(C)COCCNC(=O)c1sc2ncccc2c1N.
What is the InChIKey of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YOOAJRRQBCVGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9(2)8-19-7-6-16-13(18)12-11(15)10-4-3-5-17-14(10)20-12/h3-5H,1,6-8,15H2,2H3,(H,16,18).
What are the key properties of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 114469848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).