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

C11H13N5O2S — CID 83117309

IUPAC3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)NCCNC(=O)c1sc2ncccc2c1N
InChIInChI=1S/C11H13N5O2S/c12-7-6-2-1-3-15-10(6)19-8(7)9(17)14-4-5-16-11(13)18/h1-3H,4-5,12H2,(H,14,17)(H3,13,16,18)
InChIKeyHEPQEIQCNGEDBF-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.28
Rot. Bonds4

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

3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 83117309) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID83117309
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)NCCNC(=O)c1sc2ncccc2c1N
InChIInChI=1S/C11H13N5O2S/c12-7-6-2-1-3-15-10(6)19-8(7)9(17)14-4-5-16-11(13)18/h1-3H,4-5,12H2,(H,14,17)(H3,13,16,18)
InChIKeyHEPQEIQCNGEDBF-UHFFFAOYSA-N
XLogP0.28
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide
CID 113465232
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 114469848
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
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 80691393
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 115457149
3-amino-N-[(3-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 107415732
3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316282
3-amino-N-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 83025024
3-amino-N-(2-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316339
3-amino-N-(2,3,4-trifluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316323
N-butyl-3-methoxythieno[2,3-b]pyridine-2-carboxamide
CID 54278468

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 83117309) is 3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide is NC(=O)NCCNC(=O)c1sc2ncccc2c1N.
What is the InChIKey of 3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HEPQEIQCNGEDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c12-7-6-2-1-3-15-10(6)19-8(7)9(17)14-4-5-16-11(13)18/h1-3H,4-5,12H2,(H,14,17)(H3,13,16,18).
What are the key properties of 3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.28, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 83117309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).