N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide

C17H16N2O2 — CID 62830959

IUPACN-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C#CCO)c2)c(C)n1
InChIInChI=1S/C17H16N2O2/c1-12-8-9-16(13(2)18-12)17(21)19-15-7-3-5-14(11-15)6-4-10-20/h3,5,7-9,11,20H,10H2,1-2H3,(H,19,21)
InChIKeyGHBJJCXAWSWQBO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.29
Rot. Bonds2

About N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide

N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 62830959) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID62830959
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C#CCO)c2)c(C)n1
InChIInChI=1S/C17H16N2O2/c1-12-8-9-16(13(2)18-12)17(21)19-15-7-3-5-14(11-15)6-4-10-20/h3,5,7-9,11,20H,10H2,1-2H3,(H,19,21)
InChIKeyGHBJJCXAWSWQBO-UHFFFAOYSA-N
XLogP2.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47299315
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60804690
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 60802770
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide
CID 105064266
N-[4-(3-aminoprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62828528
N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65311034
1-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-(3-methylphenyl)urea
CID 60804851
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 76950265
3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803799
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803971
N-[3-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62200673

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide (CID 62830959) is N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(C#CCO)c2)c(C)n1.
What is the InChIKey of N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is GHBJJCXAWSWQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-8-9-16(13(2)18-12)17(21)19-15-7-3-5-14(11-15)6-4-10-20/h3,5,7-9,11,20H,10H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide?
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 62830959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).