3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide

C15H19N3O2 — CID 107524152

IUPAC3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
SMILESNCC#Cc1cccnc1C(=O)NCC1CCCCO1
InChIInChI=1S/C15H19N3O2/c16-8-3-5-12-6-4-9-17-14(12)15(19)18-11-13-7-1-2-10-20-13/h4,6,9,13H,1-2,7-8,10-11,16H2,(H,18,19)
InChIKeyRWKREUWLOUNZPQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.69
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 107524152) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID107524152
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
SMILESNCC#Cc1cccnc1C(=O)NCC1CCCCO1
InChIInChI=1S/C15H19N3O2/c16-8-3-5-12-6-4-9-17-14(12)15(19)18-11-13-7-1-2-10-20-13/h4,6,9,13H,1-2,7-8,10-11,16H2,(H,18,19)
InChIKeyRWKREUWLOUNZPQ-UHFFFAOYSA-N
XLogP0.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107524154
5-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 55013246
2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide
CID 106000492
3-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 107524822
3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide
CID 107524467
3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 107524117
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 107523595
(E)-3-[2-(oxolan-2-ylmethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 107525643
3-(3-aminoprop-1-ynyl)-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 107524869
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 63799691
3-(3-aminoprop-1-ynyl)-N-(3,3-dimethylbutan-2-yl)pyridine-2-carboxamide
CID 107524757
3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 107524732

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide (CID 107524152) is 3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide is NCC#Cc1cccnc1C(=O)NCC1CCCCO1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is RWKREUWLOUNZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-8-3-5-12-6-4-9-17-14(12)15(19)18-11-13-7-1-2-10-20-13/h4,6,9,13H,1-2,7-8,10-11,16H2,(H,18,19).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107524152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).