5-amino-6-phenylmethoxypyridine-2-carboxamide

C13H13N3O2 — CID 114408377

IUPAC5-amino-6-phenylmethoxypyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(OCc2ccccc2)n1
InChIInChI=1S/C13H13N3O2/c14-10-6-7-11(12(15)17)16-13(10)18-8-9-4-2-1-3-5-9/h1-7H,8,14H2,(H2,15,17)
InChIKeyCMMAOYNXJUBZSF-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.34
Rot. Bonds4

About 5-amino-6-phenylmethoxypyridine-2-carboxamide

5-amino-6-phenylmethoxypyridine-2-carboxamide (PubChem CID 114408377) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-amino-6-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-phenylmethoxypyridine-2-carboxamide
PubChem CID114408377
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-amino-6-phenylmethoxypyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(OCc2ccccc2)n1
InChIInChI=1S/C13H13N3O2/c14-10-6-7-11(12(15)17)16-13(10)18-8-9-4-2-1-3-5-9/h1-7H,8,14H2,(H2,15,17)
InChIKeyCMMAOYNXJUBZSF-UHFFFAOYSA-N
XLogP1.34
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of 5-amino-6-phenylmethoxypyridine-2-carboxamide (CID 114408377) is 5-amino-6-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-phenylmethoxypyridine-2-carboxamide is NC(=O)c1ccc(N)c(OCc2ccccc2)n1.
What is the InChIKey of 5-amino-6-phenylmethoxypyridine-2-carboxamide?
The InChIKey is CMMAOYNXJUBZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-10-6-7-11(12(15)17)16-13(10)18-8-9-4-2-1-3-5-9/h1-7H,8,14H2,(H2,15,17).
What are the key properties of 5-amino-6-phenylmethoxypyridine-2-carboxamide?
5-amino-6-phenylmethoxypyridine-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 114408377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).