N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide

C14H18N2O3 — CID 62959880

IUPACN-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESCCN(CCO)C(=O)c1ccc(C#CCCO)cn1
InChIInChI=1S/C14H18N2O3/c1-2-16(8-10-18)14(19)13-7-6-12(11-15-13)5-3-4-9-17/h6-7,11,17-18H,2,4,8-10H2,1H3
InChIKeyBXAUPBUXXHEWJB-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.27
Rot. Bonds5

About N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide

N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 62959880) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID62959880
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESCCN(CCO)C(=O)c1ccc(C#CCCO)cn1
InChIInChI=1S/C14H18N2O3/c1-2-16(8-10-18)14(19)13-7-6-12(11-15-13)5-3-4-9-17/h6-7,11,17-18H,2,4,8-10H2,1H3
InChIKeyBXAUPBUXXHEWJB-UHFFFAOYSA-N
XLogP0.27
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide (CID 62959880) is N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide is CCN(CCO)C(=O)c1ccc(C#CCCO)cn1.
What is the InChIKey of N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is BXAUPBUXXHEWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-16(8-10-18)14(19)13-7-6-12(11-15-13)5-3-4-9-17/h6-7,11,17-18H,2,4,8-10H2,1H3.
What are the key properties of N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide?
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62959880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).