3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide

C15H20N2O3 — CID 107523284

IUPAC3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
SMILESCC(C)COCCNC(=O)c1ncccc1C#CCO
InChIInChI=1S/C15H20N2O3/c1-12(2)11-20-10-8-17-15(19)14-13(6-4-9-18)5-3-7-16-14/h3,5,7,12,18H,8-11H2,1-2H3,(H,17,19)
InChIKeyMXMHPNUAKKBPQE-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.83
Rot. Bonds6

About 3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide (PubChem CID 107523284) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
PubChem CID107523284
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
SMILESCC(C)COCCNC(=O)c1ncccc1C#CCO
InChIInChI=1S/C15H20N2O3/c1-12(2)11-20-10-8-17-15(19)14-13(6-4-9-18)5-3-7-16-14/h3,5,7,12,18H,8-11H2,1-2H3,(H,17,19)
InChIKeyMXMHPNUAKKBPQE-UHFFFAOYSA-N
XLogP0.83
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 107523195
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 107523091
N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107523135
N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107522126
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-aminoprop-1-ynyl)pyridine-2-carboxamide
CID 106240712
N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 107521425
(E)-3-[2-[2-(2-methylpropoxy)ethylcarbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 107526080
3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide
CID 107522733
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107522403
3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107524648
3-(3-aminoprop-1-ynyl)-N-(3-butoxypropyl)pyridine-2-carboxamide
CID 107524783
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 107520524

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide (CID 107523284) is 3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide is CC(C)COCCNC(=O)c1ncccc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
The InChIKey is MXMHPNUAKKBPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12(2)11-20-10-8-17-15(19)14-13(6-4-9-18)5-3-7-16-14/h3,5,7,12,18H,8-11H2,1-2H3,(H,17,19).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 107523284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).