3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide

C15H20N2O3 — CID 66484600

IUPAC3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
SMILESCOCC(C)N(C)C(=O)c1ccncc1C#CCCO
InChIInChI=1S/C15H20N2O3/c1-12(11-20-3)17(2)15(19)14-7-8-16-10-13(14)6-4-5-9-18/h7-8,10,12,18H,5,9,11H2,1-3H3
InChIKeyTZPFWZHERZZJQC-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.92
Rot. Bonds5

About 3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide

3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide (PubChem CID 66484600) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
PubChem CID66484600
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
SMILESCOCC(C)N(C)C(=O)c1ccncc1C#CCCO
InChIInChI=1S/C15H20N2O3/c1-12(11-20-3)17(2)15(19)14-7-8-16-10-13(14)6-4-5-9-18/h7-8,10,12,18H,5,9,11H2,1-3H3
InChIKeyTZPFWZHERZZJQC-UHFFFAOYSA-N
XLogP0.92
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide
CID 66483431
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61455637
N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66484764
3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 66484592
3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 81443332
3-(3-aminoprop-1-ynyl)-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104553614
4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244358
3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide
CID 66483410
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 66482459
N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 103103852
N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81242683
3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66482048

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide (CID 66484600) is 3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide is COCC(C)N(C)C(=O)c1ccncc1C#CCCO.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
The InChIKey is TZPFWZHERZZJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12(11-20-3)17(2)15(19)14-7-8-16-10-13(14)6-4-5-9-18/h7-8,10,12,18H,5,9,11H2,1-3H3.
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 66484600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).