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

C15H15N3O2S — CID 81436154

IUPACN-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide
SMILESCN(Cc1cc(C#CCN)cs1)C(=O)c1ccncc1O
InChIInChI=1S/C15H15N3O2S/c1-18(15(20)13-4-6-17-8-14(13)19)9-12-7-11(10-21-12)3-2-5-16/h4,6-8,10,19H,5,9,16H2,1H3
InChIKeyXVHPZBGHRYRKOT-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.43
Rot. Bonds3

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

N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide (PubChem CID 81436154) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide
PubChem CID81436154
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide
SMILESCN(Cc1cc(C#CCN)cs1)C(=O)c1ccncc1O
InChIInChI=1S/C15H15N3O2S/c1-18(15(20)13-4-6-17-8-14(13)19)9-12-7-11(10-21-12)3-2-5-16/h4,6-8,10,19H,5,9,16H2,1H3
InChIKeyXVHPZBGHRYRKOT-UHFFFAOYSA-N
XLogP1.43
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.43
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

3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
CID 81442463
3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 66483088
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-N-methyl-2-methylsulfanylacetamide
CID 54984752
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-N,2-dimethylbutanamide
CID 54984704
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64950094
4-(3-aminoprop-1-ynyl)-2-[[methyl(sulfamoyl)amino]methyl]thiophene
CID 114959540
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484447
3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 66482327
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-N,5-dimethyloxolane-2-carboxamide
CID 81330593
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-N-methyl-2-(thian-4-yl)acetamide
CID 83135715
3-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 80706848
3-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 80707419

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide (CID 81436154) is N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide is CN(Cc1cc(C#CCN)cs1)C(=O)c1ccncc1O.
What is the InChIKey of N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide?
The InChIKey is XVHPZBGHRYRKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-18(15(20)13-4-6-17-8-14(13)19)9-12-7-11(10-21-12)3-2-5-16/h4,6-8,10,19H,5,9,16H2,1H3.
What are the key properties of N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide?
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 81436154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).