N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

C17H16N2O2 — CID 62960401

IUPACN-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(C#CCO)cn2)c1
InChIInChI=1S/C17H16N2O2/c1-12-5-6-13(2)16(10-12)19-17(21)15-8-7-14(11-18-15)4-3-9-20/h5-8,10-11,20H,9H2,1-2H3,(H,19,21)
InChIKeyCBCGNLYQHVXXSM-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.29
Rot. Bonds2

About N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (PubChem CID 62960401) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
PubChem CID62960401
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(C#CCO)cn2)c1
InChIInChI=1S/C17H16N2O2/c1-12-5-6-13(2)16(10-12)19-17(21)15-8-7-14(11-18-15)4-3-9-20/h5-8,10-11,20H,9H2,1-2H3,(H,19,21)
InChIKeyCBCGNLYQHVXXSM-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

5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 62960498
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methylbenzamide
CID 60805079
5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62958428
5-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62959335
N-(2,5-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639934
N-(2,5-dimethylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639933
5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62960232
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66336179
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958260
5-(4-hydroxybut-1-ynyl)-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 62959332
5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 62958804
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109195188

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (CID 62960401) is N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is Cc1ccc(C)c(NC(=O)c2ccc(C#CCO)cn2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The InChIKey is CBCGNLYQHVXXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-5-6-13(2)16(10-12)19-17(21)15-8-7-14(11-18-15)4-3-9-20/h5-8,10-11,20H,9H2,1-2H3,(H,19,21).
What are the key properties of N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-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-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 62960401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).