N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide

C15H15N3OS — CID 79975351

IUPACN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1cccc(C#CCN)n1
InChIInChI=1S/C15H15N3OS/c1-2-11-8-10-20-14(11)15(19)18-13-7-3-5-12(17-13)6-4-9-16/h3,5,7-8,10H,2,9,16H2,1H3,(H,17,18,19)
InChIKeyOXKHYDMRUWUERE-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.27
Rot. Bonds3

About N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide (PubChem CID 79975351) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide
PubChem CID79975351
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1cccc(C#CCN)n1
InChIInChI=1S/C15H15N3OS/c1-2-11-8-10-20-14(11)15(19)18-13-7-3-5-12(17-13)6-4-9-16/h3,5,7-8,10H,2,9,16H2,1H3,(H,17,18,19)
InChIKeyOXKHYDMRUWUERE-UHFFFAOYSA-N
XLogP2.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.27
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

N-(6-bromo-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 47461837
6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 55247579
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 60812906
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide
CID 60814077
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-1-ethylpyrrole-2-carboxamide
CID 60813066
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylsulfanylbenzamide
CID 79214105
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide
CID 60813067
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-cyanobenzamide
CID 60814076
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002399
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide
CID 60814416
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylimidazole-4-carboxamide
CID 103511822
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-chloro-2-methylbenzamide
CID 82874779

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide (CID 79975351) is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)Nc1cccc(C#CCN)n1.
What is the InChIKey of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide?
The InChIKey is OXKHYDMRUWUERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-11-8-10-20-14(11)15(19)18-13-7-3-5-12(17-13)6-4-9-16/h3,5,7-8,10H,2,9,16H2,1H3,(H,17,18,19).
What are the key properties of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide?
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 79975351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).