N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

C14H15N3O2 — CID 107521854

IUPACN-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCCN(CCC#N)C(=O)c1ncccc1C#CCO
InChIInChI=1S/C14H15N3O2/c1-2-17(10-5-8-15)14(19)13-12(7-4-11-18)6-3-9-16-13/h3,6,9,18H,2,5,10-11H2,1H3
InChIKeyFNTHTCNZCRMUDT-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.80
Rot. Bonds4

About N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (PubChem CID 107521854) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
PubChem CID107521854
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCCN(CCC#N)C(=O)c1ncccc1C#CCO
InChIInChI=1S/C14H15N3O2/c1-2-17(10-5-8-15)14(19)13-12(7-4-11-18)6-3-9-16-13/h3,6,9,18H,2,5,10-11H2,1H3
InChIKeyFNTHTCNZCRMUDT-UHFFFAOYSA-N
XLogP0.80
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
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-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (CID 107521854) is N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is CCN(CCC#N)C(=O)c1ncccc1C#CCO.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The InChIKey is FNTHTCNZCRMUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-17(10-5-8-15)14(19)13-12(7-4-11-18)6-3-9-16-13/h3,6,9,18H,2,5,10-11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 107521854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).