4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide

C18H19N5O3 — CID 86681778

IUPAC4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide
SMILES[N-]=[N+]=Nc1ccnc(C(=O)N(Cc2ccccc2)OC2CCCCO2)c1
InChIInChI=1S/C18H19N5O3/c19-22-21-15-9-10-20-16(12-15)18(24)23(13-14-6-2-1-3-7-14)26-17-8-4-5-11-25-17/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2
InChIKeyOKJDLVAAPAUEAC-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.12
Rot. Bonds6

About 4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide

4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide (PubChem CID 86681778) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide
PubChem CID86681778
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide
SMILES[N-]=[N+]=Nc1ccnc(C(=O)N(Cc2ccccc2)OC2CCCCO2)c1
InChIInChI=1S/C18H19N5O3/c19-22-21-15-9-10-20-16(12-15)18(24)23(13-14-6-2-1-3-7-14)26-17-8-4-5-11-25-17/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2
InChIKeyOKJDLVAAPAUEAC-UHFFFAOYSA-N
XLogP4.12
TPSA100.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-[[(3R)-oxolan-3-yl]methylamino]pyridine-2-carboxamide
CID 96527176
N-benzyl-4-(4-methyl-3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 132294448
N-benzyl-4-(4-fluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide
CID 71523630
4-Bromo-pyridine-2-carboxylic acid (4-fluoro-benzyl)-(tetrahydro-pyran-2-yloxy)-amide
CID 86681820
4-Phenyl-pyridine-2-carboxylic acid (4-fluoro-benzyl)-(tetrahydro-pyran-2-yloxy)-amide
CID 86681822
N-benzyl-4-(4,4-difluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide
CID 89511624
N-benzyl-4-(3,3-difluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide
CID 89511811
N-benzyl-4-(4,4-difluoropiperidin-1-yl)-N-hydroxypyridine-2-carboxamide;methane;hydrochloride
CID 161528165
N-[(4-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9404999
N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9456004
[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 56900646
N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide
CID 99627318

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide?
The IUPAC name of 4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide (CID 86681778) is 4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide.
What is the SMILES notation for 4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide?
The canonical SMILES for 4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide is [N-]=[N+]=Nc1ccnc(C(=O)N(Cc2ccccc2)OC2CCCCO2)c1.
What is the InChIKey of 4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide?
The InChIKey is OKJDLVAAPAUEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c19-22-21-15-9-10-20-16(12-15)18(24)23(13-14-6-2-1-3-7-14)26-17-8-4-5-11-25-17/h1-3,6-7,9-10,12,17H,4-5,8,11,13H2.
What are the key properties of 4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide?
4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-benzyl-N-(oxan-2-yloxy)pyridine-2-carboxamide is sourced from PubChem (CID 86681778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).