N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide

C15H15N3O2S — CID 105064279

IUPACN-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCc1sccc1C#CCN
InChIInChI=1S/C15H15N3O2S/c1-20-13-9-17-7-4-12(13)15(19)18-10-14-11(3-2-6-16)5-8-21-14/h4-5,7-9H,6,10,16H2,1H3,(H,18,19)
InChIKeyFVYSWSOATJEADD-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.39
Rot. Bonds4

About N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide

N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide (PubChem CID 105064279) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide
PubChem CID105064279
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCc1sccc1C#CCN
InChIInChI=1S/C15H15N3O2S/c1-20-13-9-17-7-4-12(13)15(19)18-10-14-11(3-2-6-16)5-8-21-14/h4-5,7-9H,6,10,16H2,1H3,(H,18,19)
InChIKeyFVYSWSOATJEADD-UHFFFAOYSA-N
XLogP1.39
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide
CID 107964048
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyridazine-4-carboxamide
CID 104671884
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66483281
N-[(2-hydroxyphenyl)methyl]-3-methoxypyridine-4-carboxamide
CID 105063699
3-(3-aminoprop-1-ynyl)-N-[(5-ethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 106014577
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide
CID 82988192
3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
CID 66483862
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3,4-dihydroxybenzamide
CID 107728882
3-methoxy-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 105064057
3-(3-aminoprop-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66484649
N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide
CID 105063994

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide (CID 105064279) is N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)NCc1sccc1C#CCN.
What is the InChIKey of N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide?
The InChIKey is FVYSWSOATJEADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-20-13-9-17-7-4-12(13)15(19)18-10-14-11(3-2-6-16)5-8-21-14/h4-5,7-9H,6,10,16H2,1H3,(H,18,19).
What are the key properties of N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide?
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105064279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).