3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide

C16H14N2O3 — CID 66484003

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccncc2C#CCO)cc1
InChIInChI=1S/C16H14N2O3/c1-21-14-6-4-13(5-7-14)18-16(20)15-8-9-17-11-12(15)3-2-10-19/h4-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyIUFCBIRTIAPFCX-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.69
Rot. Bonds3

About 3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 66484003) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
PubChem CID66484003
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccncc2C#CCO)cc1
InChIInChI=1S/C16H14N2O3/c1-21-14-6-4-13(5-7-14)18-16(20)15-8-9-17-11-12(15)3-2-10-19/h4-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyIUFCBIRTIAPFCX-UHFFFAOYSA-N
XLogP1.69
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.69
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

N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482247
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482239
N-(4,6-dimethyl-2-pyridinyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 114932889
3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 66483084
N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484383
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide
CID 105064266
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60803282
4-hydrazinyl-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 81255713
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484582
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 83112396
N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484973
N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484230

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide (CID 66484003) is 3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccncc2C#CCO)cc1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is IUFCBIRTIAPFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-14-6-4-13(5-7-14)18-16(20)15-8-9-17-11-12(15)3-2-10-19/h4-9,11,19H,10H2,1H3,(H,18,20).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.69, 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-(4-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 66484003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).