5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide

C16H19N3O — CID 62952662

IUPAC5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NC(C2CC2)C2CC2)nc1
InChIInChI=1S/C16H19N3O/c17-9-1-2-11-3-8-14(18-10-11)16(20)19-15(12-4-5-12)13-6-7-13/h3,8,10,12-13,15H,4-7,9,17H2,(H,19,20)
InChIKeyQQSWHEINOKNIKD-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.31
Rot. Bonds4

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

5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide (PubChem CID 62952662) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide
PubChem CID62952662
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NC(C2CC2)C2CC2)nc1
InChIInChI=1S/C16H19N3O/c17-9-1-2-11-3-8-14(18-10-11)16(20)19-15(12-4-5-12)13-6-7-13/h3,8,10,12-13,15H,4-7,9,17H2,(H,19,20)
InChIKeyQQSWHEINOKNIKD-UHFFFAOYSA-N
XLogP1.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.31
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-cyclopentylpyridine-2-carboxamide
CID 62960645
5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960476
5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 62954188
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 62953666
5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62954357
5-(3-aminoprop-1-ynyl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-2-carboxamide
CID 62952482
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 62958354
5-(3-aminoprop-1-ynyl)-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide
CID 79241057
5-(3-aminoprop-1-ynyl)-N-(2-methoxypropyl)pyridine-2-carboxamide
CID 102700221
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 55152684
N-(dicyclopropylmethyl)-5-(methylamino)pyridine-2-carboxamide
CID 113436148

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide (CID 62952662) is 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide is NCC#Cc1ccc(C(=O)NC(C2CC2)C2CC2)nc1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide?
The InChIKey is QQSWHEINOKNIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-9-1-2-11-3-8-14(18-10-11)16(20)19-15(12-4-5-12)13-6-7-13/h3,8,10,12-13,15H,4-7,9,17H2,(H,19,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.31, 4 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-(dicyclopropylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62952662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).