3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide

C13H11N3OS — CID 63801072

IUPAC3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide
SMILESNCC#Cc1ccsc1C(=O)Nc1cccnc1
InChIInChI=1S/C13H11N3OS/c14-6-1-3-10-5-8-18-12(10)13(17)16-11-4-2-7-15-9-11/h2,4-5,7-9H,6,14H2,(H,16,17)
InChIKeyLYGGCIWLGIPOBZ-UHFFFAOYSA-N
MW257.32 g/mol
LogP1.71
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 63801072) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide
PubChem CID63801072
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide
SMILESNCC#Cc1ccsc1C(=O)Nc1cccnc1
InChIInChI=1S/C13H11N3OS/c14-6-1-3-10-5-8-18-12(10)13(17)16-11-4-2-7-15-9-11/h2,4-5,7-9H,6,14H2,(H,16,17)
InChIKeyLYGGCIWLGIPOBZ-UHFFFAOYSA-N
XLogP1.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-pyrimidin-2-ylthiophene-2-carboxamide
CID 63801441
3-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 63799848
3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 55239746
3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide
CID 63799155
3-(methoxymethoxy)-N-pyridin-3-ylthiophene-2-carboxamide
CID 175254874
3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 63800911
3-(3-aminoprop-1-ynyl)-N-(3-chloro-5-fluorophenyl)thiophene-2-carboxamide
CID 107370246
3-(4-hydroxybut-1-ynyl)-N-pyridin-4-ylthiophene-2-carboxamide
CID 63797936
3-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
CID 63800239
3-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 63799852
N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)thiophene-2-carboxamide
CID 63800896
3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide
CID 114840612

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide (CID 63801072) is 3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide is NCC#Cc1ccsc1C(=O)Nc1cccnc1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is LYGGCIWLGIPOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c14-6-1-3-10-5-8-18-12(10)13(17)16-11-4-2-7-15-9-11/h2,4-5,7-9H,6,14H2,(H,16,17).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 63801072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).