5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide

C17H24N2O2 — CID 62959533

IUPAC5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)CN(C(=O)c1ccc(C#CCCO)cn1)C(C)C
InChIInChI=1S/C17H24N2O2/c1-13(2)12-19(14(3)4)17(21)16-9-8-15(11-18-16)7-5-6-10-20/h8-9,11,13-14,20H,6,10,12H2,1-4H3
InChIKeyRCPGZLLWFGFGAI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.32
Rot. Bonds5

About 5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide

5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 62959533) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID62959533
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)CN(C(=O)c1ccc(C#CCCO)cn1)C(C)C
InChIInChI=1S/C17H24N2O2/c1-13(2)12-19(14(3)4)17(21)16-9-8-15(11-18-16)7-5-6-10-20/h8-9,11,13-14,20H,6,10,12H2,1-4H3
InChIKeyRCPGZLLWFGFGAI-UHFFFAOYSA-N
XLogP2.32
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.32
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-propan-2-ylpyridine-2-carboxamide
CID 62960597
5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 55152497
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62958096
5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 62958620
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62959880
5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63960546
N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959339
5-(3-aminoprop-1-ynyl)-N-pentyl-N-propan-2-ylpyridine-2-carboxamide
CID 62954876
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
5-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)pyridine-2-carboxamide
CID 55152113
N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62958281

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide (CID 62959533) is 5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide is CC(C)CN(C(=O)c1ccc(C#CCCO)cn1)C(C)C.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is RCPGZLLWFGFGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)12-19(14(3)4)17(21)16-9-8-15(11-18-16)7-5-6-10-20/h8-9,11,13-14,20H,6,10,12H2,1-4H3.
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.32, 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-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 62959533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).