N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide

C15H17FN2O3 — CID 111479066

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2ccnc(F)c2)c(C)o1
InChIInChI=1S/C15H17FN2O3/c1-9-6-12(10(2)21-9)15(3,20)8-18-14(19)11-4-5-17-13(16)7-11/h4-7,20H,8H2,1-3H3,(H,18,19)
InChIKeyWNNAJECDIHRGIB-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.07
Rot. Bonds4

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide (PubChem CID 111479066) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide
PubChem CID111479066
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2ccnc(F)c2)c(C)o1
InChIInChI=1S/C15H17FN2O3/c1-9-6-12(10(2)21-9)15(3,20)8-18-14(19)11-4-5-17-13(16)7-11/h4-7,20H,8H2,1-3H3,(H,18,19)
InChIKeyWNNAJECDIHRGIB-UHFFFAOYSA-N
XLogP2.07
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65106911
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111478838
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide
CID 111478851
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111478813
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-pyrazol-1-ylbenzamide
CID 111479009
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
CID 111479170
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
CID 111451765
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide
CID 111860663
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoropyridine-4-carboxamide
CID 103840043
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide (CID 111479066) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide is Cc1cc(C(C)(O)CNC(=O)c2ccnc(F)c2)c(C)o1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide?
The InChIKey is WNNAJECDIHRGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-9-6-12(10(2)21-9)15(3,20)8-18-14(19)11-4-5-17-13(16)7-11/h4-7,20H,8H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 111479066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).