N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

C16H23N3O2 — CID 62957929

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C16H23N3O2/c1-12(2)15(11-19(3)4)18-16(21)14-8-7-13(10-17-14)6-5-9-20/h7-8,10,12,15,20H,9,11H2,1-4H3,(H,18,21)
InChIKeyYKYWAJDFTHLDGC-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.74
Rot. Bonds5

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (PubChem CID 62957929) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
PubChem CID62957929
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C16H23N3O2/c1-12(2)15(11-19(3)4)18-16(21)14-8-7-13(10-17-14)6-5-9-20/h7-8,10,12,15,20H,9,11H2,1-4H3,(H,18,21)
InChIKeyYKYWAJDFTHLDGC-UHFFFAOYSA-N
XLogP0.74
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (CID 62957929) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is CC(C)C(CN(C)C)NC(=O)c1ccc(C#CCO)cn1.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The InChIKey is YKYWAJDFTHLDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)15(11-19(3)4)18-16(21)14-8-7-13(10-17-14)6-5-9-20/h7-8,10,12,15,20H,9,11H2,1-4H3,(H,18,21).
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 62957929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).