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

C14H12N2O3S — CID 81442463

IUPAC3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cc(C#CCO)cs1)c1ccncc1O
InChIInChI=1S/C14H12N2O3S/c17-5-1-2-10-6-11(20-9-10)7-16-14(19)12-3-4-15-8-13(12)18/h3-4,6,8-9,17-18H,5,7H2,(H,16,19)
InChIKeyIPYKVIZPVIPBPD-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.12
Rot. Bonds3

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

3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 81442463) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
PubChem CID81442463
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cc(C#CCO)cs1)c1ccncc1O
InChIInChI=1S/C14H12N2O3S/c17-5-1-2-10-6-11(20-9-10)7-16-14(19)12-3-4-15-8-13(12)18/h3-4,6,8-9,17-18H,5,7H2,(H,16,19)
InChIKeyIPYKVIZPVIPBPD-UHFFFAOYSA-N
XLogP1.12
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772919
4-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-3-methylbenzamide
CID 107672392
2,5-dibromo-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thiophene-3-carboxamide
CID 107963926
2-chloro-3-fluoro-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]benzamide
CID 81454874
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81436154
3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 113341020
N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 113252821
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrimidine-5-carboxamide
CID 102922476
3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 66483450
4-[(4-bromothiophen-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 114244409
3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide
CID 81443108
N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-2-methylsulfonylpropanamide
CID 104520948

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide (CID 81442463) is 3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide is O=C(NCc1cc(C#CCO)cs1)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is IPYKVIZPVIPBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-5-1-2-10-6-11(20-9-10)7-16-14(19)12-3-4-15-8-13(12)18/h3-4,6,8-9,17-18H,5,7H2,(H,16,19).
What are the key properties of 3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide?
3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 81442463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).