N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide

C16H14N2O3 — CID 105064266

IUPACN-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1cccc(C#CCO)c1
InChIInChI=1S/C16H14N2O3/c1-21-15-11-17-8-7-14(15)16(20)18-13-6-2-4-12(10-13)5-3-9-19/h2,4,6-8,10-11,19H,9H2,1H3,(H,18,20)
InChIKeyMRBQYJSKTWEEIR-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.69
Rot. Bonds3

About N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide

N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide (PubChem CID 105064266) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide
PubChem CID105064266
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1cccc(C#CCO)c1
InChIInChI=1S/C16H14N2O3/c1-21-15-11-17-8-7-14(15)16(20)18-13-6-2-4-12(10-13)5-3-9-19/h2,4,6-8,10-11,19H,9H2,1H3,(H,18,20)
InChIKeyMRBQYJSKTWEEIR-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-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063564
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62200673
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830959
3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide
CID 60815302
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
CID 60802580
N-[3-(2-aminoethoxy)phenyl]-3-methoxypyridine-4-carboxamide
CID 105062895
3-methoxy-N-(3-sulfamoylphenyl)pyridine-4-carboxamide
CID 105064331
3-(3-hydroxyprop-1-ynyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 66484003
3-methoxy-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 105063971
N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide
CID 105063448
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037
N-(3-fluoro-4-hydroxyphenyl)-3-methoxypyridine-4-carboxamide
CID 105063689

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide (CID 105064266) is N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)Nc1cccc(C#CCO)c1.
What is the InChIKey of N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide?
The InChIKey is MRBQYJSKTWEEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-15-11-17-8-7-14(15)16(20)18-13-6-2-4-12(10-13)5-3-9-19/h2,4,6-8,10-11,19H,9H2,1H3,(H,18,20).
What are the key properties of N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide?
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-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 N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105064266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).