5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide

C16H23N3O2 — CID 106041923

IUPAC5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C16H23N3O2/c1-13(2)19(3)10-5-9-17-16(21)15-8-7-14(12-18-15)6-4-11-20/h7-8,12-13,20H,5,9-11H2,1-3H3,(H,17,21)
InChIKeyYPSPAWLRGRDOGB-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.89
Rot. Bonds6

About 5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide (PubChem CID 106041923) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
PubChem CID106041923
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C16H23N3O2/c1-13(2)19(3)10-5-9-17-16(21)15-8-7-14(12-18-15)6-4-11-20/h7-8,12-13,20H,5,9-11H2,1-3H3,(H,17,21)
InChIKeyYPSPAWLRGRDOGB-UHFFFAOYSA-N
XLogP0.89
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050159
N-[2-(ethylsulfamoyl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 106342097
5-(3-hydroxyprop-1-ynyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 63227424
5-(4-hydroxybut-1-ynyl)-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 62960261
N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62957929
N-(3-ethoxypropyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959692
N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 55152298
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62958957
5-(3-hydroxyprop-1-ynyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 64525735
N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958951
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106917670
N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62959712

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide (CID 106041923) is 5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide is CC(C)N(C)CCCNC(=O)c1ccc(C#CCO)cn1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
The InChIKey is YPSPAWLRGRDOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(2)19(3)10-5-9-17-16(21)15-8-7-14(12-18-15)6-4-11-20/h7-8,12-13,20H,5,9-11H2,1-3H3,(H,17,21).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 106041923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).