5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide

C14H18N2O2 — CID 54975093

IUPAC5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCC(CC)NC(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C14H18N2O2/c1-3-13(4-2)16-14(18)12-8-11(6-5-7-17)9-15-10-12/h8-10,13,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyFKJWZNHNYXFPQS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.34
Rot. Bonds4

About 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide (PubChem CID 54975093) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
PubChem CID54975093
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
SMILESCCC(CC)NC(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C14H18N2O2/c1-3-13(4-2)16-14(18)12-8-11(6-5-7-17)9-15-10-12/h8-10,13,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyFKJWZNHNYXFPQS-UHFFFAOYSA-N
XLogP1.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexan-3-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 55033591
5-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 106331039
5-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 107589630
N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54975137
5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071338
5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 63927155
N-(3-amino-3-oxopropyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54974696
5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 104981468
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79694004
5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
CID 83023468
5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 62914339
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide
CID 63564141

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide (CID 54975093) is 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide is CCC(CC)NC(=O)c1cncc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide?
The InChIKey is FKJWZNHNYXFPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-13(4-2)16-14(18)12-8-11(6-5-7-17)9-15-10-12/h8-10,13,17H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 54975093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).