5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide

C16H22N2O2 — CID 62958620

IUPAC5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
SMILESCCC(CC)N(C)C(=O)c1ccc(C#CCCO)cn1
InChIInChI=1S/C16H22N2O2/c1-4-14(5-2)18(3)16(20)15-10-9-13(12-17-15)8-6-7-11-19/h9-10,12,14,19H,4-5,7,11H2,1-3H3
InChIKeyRUCWBBCAGJVGFY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.08
Rot. Bonds5

About 5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide

5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide (PubChem CID 62958620) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
PubChem CID62958620
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
SMILESCCC(CC)N(C)C(=O)c1ccc(C#CCCO)cn1
InChIInChI=1S/C16H22N2O2/c1-4-14(5-2)18(3)16(20)15-10-9-13(12-17-15)8-6-7-11-19/h9-10,12,14,19H,4-5,7,11H2,1-3H3
InChIKeyRUCWBBCAGJVGFY-UHFFFAOYSA-N
XLogP2.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62958096
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide
CID 62960597
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62959880
5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide
CID 62959533
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62958957
N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959512
N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959339
5-(3-aminoprop-1-ynyl)-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63228590
N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62959141
5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63960546
N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62958281
N-(3-ethoxypropyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959692

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide (CID 62958620) is 5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide is CCC(CC)N(C)C(=O)c1ccc(C#CCCO)cn1.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide?
The InChIKey is RUCWBBCAGJVGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-14(5-2)18(3)16(20)15-10-9-13(12-17-15)8-6-7-11-19/h9-10,12,14,19H,4-5,7,11H2,1-3H3.
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 62958620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).