4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide

C15H19N3O3 — CID 133454947

IUPAC4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide
SMILESCc1cc(C(C)(O)CNc2ccncc2C(N)=O)c(C)o1
InChIInChI=1S/C15H19N3O3/c1-9-6-12(10(2)21-9)15(3,20)8-18-13-4-5-17-7-11(13)14(16)19/h4-7,20H,8H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyIYZHGLCTOVFFLT-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.71
Rot. Bonds5

About 4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide

4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide (PubChem CID 133454947) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide
PubChem CID133454947
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide
SMILESCc1cc(C(C)(O)CNc2ccncc2C(N)=O)c(C)o1
InChIInChI=1S/C15H19N3O3/c1-9-6-12(10(2)21-9)15(3,20)8-18-13-4-5-17-7-11(13)14(16)19/h4-7,20H,8H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyIYZHGLCTOVFFLT-UHFFFAOYSA-N
XLogP1.71
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide (CID 133454947) is 4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide is Cc1cc(C(C)(O)CNc2ccncc2C(N)=O)c(C)o1.
What is the InChIKey of 4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide?
The InChIKey is IYZHGLCTOVFFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-6-12(10(2)21-9)15(3,20)8-18-13-4-5-17-7-11(13)14(16)19/h4-7,20H,8H2,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of 4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide?
4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 133454947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).