3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide

C15H14N2O2S — CID 66483450

IUPAC3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccncc2C#CCO)s1
InChIInChI=1S/C15H14N2O2S/c1-11-4-5-13(20-11)10-17-15(19)14-6-7-16-9-12(14)3-2-8-18/h4-7,9,18H,8,10H2,1H3,(H,17,19)
InChIKeyFHMWRHRDTILHCQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.73
Rot. Bonds3

About 3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 66483450) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
PubChem CID66483450
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccncc2C#CCO)s1
InChIInChI=1S/C15H14N2O2S/c1-11-4-5-13(20-11)10-17-15(19)14-6-7-16-9-12(14)3-2-8-18/h4-7,9,18H,8,10H2,1H3,(H,17,19)
InChIKeyFHMWRHRDTILHCQ-UHFFFAOYSA-N
XLogP1.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.73
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

3-(3-aminoprop-1-ynyl)-N-[(5-ethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 106014577
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482239
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 66483848
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 83112396
3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 66482472
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484582
N-(2-cyclopentylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482847
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide
CID 66482084
N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482247
N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 114932889
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 66482261
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 79071328

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide (CID 66483450) is 3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide is Cc1ccc(CNC(=O)c2ccncc2C#CCO)s1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is FHMWRHRDTILHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11-4-5-13(20-11)10-17-15(19)14-6-7-16-9-12(14)3-2-8-18/h4-7,9,18H,8,10H2,1H3,(H,17,19).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66483450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).