3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide

C13H10ClN3OS — CID 63800911

IUPAC3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
SMILESNCC#Cc1ccsc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H10ClN3OS/c14-10-3-4-11(16-8-10)17-13(18)12-9(2-1-6-15)5-7-19-12/h3-5,7-8H,6,15H2,(H,16,17,18)
InChIKeyZAGDSGGDAMDFGM-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.36
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 63800911) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
PubChem CID63800911
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
SMILESNCC#Cc1ccsc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H10ClN3OS/c14-10-3-4-11(16-8-10)17-13(18)12-9(2-1-6-15)5-7-19-12/h3-5,7-8H,6,15H2,(H,16,17,18)
InChIKeyZAGDSGGDAMDFGM-UHFFFAOYSA-N
XLogP2.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.36
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-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 61094139
3-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-2-carboxamide
CID 63799155
3-(3-aminoprop-1-ynyl)-N-(3-chloro-5-fluorophenyl)thiophene-2-carboxamide
CID 107370246
3-(3-aminoprop-1-ynyl)-N-pyridin-3-ylthiophene-2-carboxamide
CID 63801072
3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 55239746
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chlorothiophene-2-carboxamide
CID 81270986
3-(3-aminoprop-1-ynyl)-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 107809730
N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)thiophene-2-carboxamide
CID 63800896
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-3-methylthiophene-2-carboxamide
CID 81279963
3-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide
CID 114840612
3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide
CID 63801612

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide (CID 63800911) is 3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide is NCC#Cc1ccsc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is ZAGDSGGDAMDFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c14-10-3-4-11(16-8-10)17-13(18)12-9(2-1-6-15)5-7-19-12/h3-5,7-8H,6,15H2,(H,16,17,18).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 291.76 g/mol, XLogP of 2.36, 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-(5-chloro-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 63800911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).