5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide

C11H13N3O — CID 62958179

IUPAC5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C11H13N3O/c1-2-13-11(15)10-6-5-9(8-14-10)4-3-7-12/h5-6,8H,2,7,12H2,1H3,(H,13,15)
InChIKeyNCUPUEBNAJWLNM-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.14
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide (PubChem CID 62958179) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
PubChem CID62958179
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C11H13N3O/c1-2-13-11(15)10-6-5-9(8-14-10)4-3-7-12/h5-6,8H,2,7,12H2,1H3,(H,13,15)
InChIKeyNCUPUEBNAJWLNM-UHFFFAOYSA-N
XLogP0.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 55152684
5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342164
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63961406
5-(3-aminoprop-1-ynyl)-N-(2-methoxypropyl)pyridine-2-carboxamide
CID 102700221
5-(3-aminoprop-1-ynyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2-carboxamide
CID 62959219
5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide
CID 62952482
5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960476
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 62958354
5-(3-aminoprop-1-ynyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62958356
5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 62953500
N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959512
5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 63241235

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide (CID 62958179) is 5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide is CCNC(=O)c1ccc(C#CCN)cn1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide?
The InChIKey is NCUPUEBNAJWLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-13-11(15)10-6-5-9(8-14-10)4-3-7-12/h5-6,8H,2,7,12H2,1H3,(H,13,15).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 62958179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).