6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide

C13H17N5O2 — CID 98893292

IUPAC6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide
SMILESCC1(C)C[C@H](NC(=O)c2ccc(N=[N+]=[N-])nc2)CCO1
InChIInChI=1S/C13H17N5O2/c1-13(2)7-10(5-6-20-13)16-12(19)9-3-4-11(15-8-9)17-18-14/h3-4,8,10H,5-7H2,1-2H3,(H,16,19)/t10-/m1/s1
InChIKeyLYUCWPQFFOFDHY-SNVBAGLBSA-N
MW275.31 g/mol
LogP2.71
Rot. Bonds3

About 6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide

6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide (PubChem CID 98893292) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide
PubChem CID98893292
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide
SMILESCC1(C)C[C@H](NC(=O)c2ccc(N=[N+]=[N-])nc2)CCO1
InChIInChI=1S/C13H17N5O2/c1-13(2)7-10(5-6-20-13)16-12(19)9-3-4-11(15-8-9)17-18-14/h3-4,8,10H,5-7H2,1-2H3,(H,16,19)/t10-/m1/s1
InChIKeyLYUCWPQFFOFDHY-SNVBAGLBSA-N
XLogP2.71
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide (CID 98893292) is 6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide is CC1(C)C[C@H](NC(=O)c2ccc(N=[N+]=[N-])nc2)CCO1.
What is the InChIKey of 6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide?
The InChIKey is LYUCWPQFFOFDHY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-13(2)7-10(5-6-20-13)16-12(19)9-3-4-11(15-8-9)17-18-14/h3-4,8,10H,5-7H2,1-2H3,(H,16,19)/t10-/m1/s1.
What are the key properties of 6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide?
6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-N-[(4R)-2,2-dimethyloxan-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 98893292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).