5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide

C16H17N3OS — CID 79977285

IUPAC5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccccn2)sc1C#CCN
InChIInChI=1S/C16H17N3OS/c1-11-10-15(21-14(11)7-5-8-17)16(20)19-12(2)13-6-3-4-9-18-13/h3-4,6,9-10,12H,8,17H2,1-2H3,(H,19,20)
InChIKeyDFIWJQHVIURELY-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.25
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide (PubChem CID 79977285) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide
PubChem CID79977285
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccccn2)sc1C#CCN
InChIInChI=1S/C16H17N3OS/c1-11-10-15(21-14(11)7-5-8-17)16(20)19-12(2)13-6-3-4-9-18-13/h3-4,6,9-10,12H,8,17H2,1-2H3,(H,19,20)
InChIKeyDFIWJQHVIURELY-UHFFFAOYSA-N
XLogP2.25
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.25
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

5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide
CID 79696529
5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79990676
5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 79998077
5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide
CID 107642846
5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide
CID 79998080
5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide
CID 79990310
5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide
CID 79990142
5-(3-aminoprop-1-ynyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-2-carboxamide
CID 79990327
5-(3-aminoprop-1-ynyl)-N-cyclopentyl-4-methylthiophene-2-carboxamide
CID 79989786
N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
CID 35940231
5-(3-aminoprop-1-ynyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-carboxamide
CID 79976889
4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 9118932

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide (CID 79977285) is 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide is Cc1cc(C(=O)NC(C)c2ccccn2)sc1C#CCN.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is DFIWJQHVIURELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-10-15(21-14(11)7-5-8-17)16(20)19-12(2)13-6-3-4-9-18-13/h3-4,6,9-10,12H,8,17H2,1-2H3,(H,19,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 79977285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).