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

C15H15N3O3 — CID 79230873

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C15H15N3O3/c1-10-13(11(2)21-18-10)9-17-15(20)14-6-5-12(8-16-14)4-3-7-19/h5-6,8,19H,7,9H2,1-2H3,(H,17,20)
InChIKeyXOYRHVXFUDZZHS-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.96
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (PubChem CID 79230873) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
PubChem CID79230873
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C15H15N3O3/c1-10-13(11(2)21-18-10)9-17-15(20)14-6-5-12(8-16-14)4-3-7-19/h5-6,8,19H,7,9H2,1-2H3,(H,17,20)
InChIKeyXOYRHVXFUDZZHS-UHFFFAOYSA-N
XLogP0.96
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62959335
5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 62958804
N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958951
5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62958428
5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 62959360
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide
CID 64525937
N-[2-(ethylsulfamoyl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 106342097
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47916250
5-(3-hydroxyprop-1-ynyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 63227424
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 79237761
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107376112
N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62960401

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (CID 79230873) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is Cc1noc(C)c1CNC(=O)c1ccc(C#CCO)cn1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The InChIKey is XOYRHVXFUDZZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-13(11(2)21-18-10)9-17-15(20)14-6-5-12(8-16-14)4-3-7-19/h5-6,8,19H,7,9H2,1-2H3,(H,17,20).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 79230873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).