5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide

C14H19N3O2 — CID 55152497

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(CCO)C(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C14H19N3O2/c1-11(2)17(8-9-18)14(19)13-6-5-12(10-16-13)4-3-7-15/h5-6,10-11,18H,7-9,15H2,1-2H3
InChIKeyLSRQJKQSPSPMRQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.23
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 55152497) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID55152497
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(CCO)C(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C14H19N3O2/c1-11(2)17(8-9-18)14(19)13-6-5-12(10-16-13)4-3-7-15/h5-6,10-11,18H,7-9,15H2,1-2H3
InChIKeyLSRQJKQSPSPMRQ-UHFFFAOYSA-N
XLogP0.23
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.23
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 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide (CID 55152497) is 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide is CC(C)N(CCO)C(=O)c1ccc(C#CCN)cn1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is LSRQJKQSPSPMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(2)17(8-9-18)14(19)13-6-5-12(10-16-13)4-3-7-15/h5-6,10-11,18H,7-9,15H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 55152497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).