N-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C14H18N4O3 — CID 100749011

IUPACN-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCON(CC1CCOCC1)C(=O)c1ccc2nncn2c1
InChIInChI=1S/C14H18N4O3/c1-20-18(8-11-4-6-21-7-5-11)14(19)12-2-3-13-16-15-10-17(13)9-12/h2-3,9-11H,4-8H2,1H3
InChIKeyWUUDMCHEVLMLRP-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.16
Rot. Bonds4

About N-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 100749011) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID100749011
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCON(CC1CCOCC1)C(=O)c1ccc2nncn2c1
InChIInChI=1S/C14H18N4O3/c1-20-18(8-11-4-6-21-7-5-11)14(19)12-2-3-13-16-15-10-17(13)9-12/h2-3,9-11H,4-8H2,1H3
InChIKeyWUUDMCHEVLMLRP-UHFFFAOYSA-N
XLogP1.16
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 100749011) is N-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CON(CC1CCOCC1)C(=O)c1ccc2nncn2c1.
What is the InChIKey of N-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is WUUDMCHEVLMLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-20-18(8-11-4-6-21-7-5-11)14(19)12-2-3-13-16-15-10-17(13)9-12/h2-3,9-11H,4-8H2,1H3.
What are the key properties of N-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 100749011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).