2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide

C16H17FN2O2 — CID 107363208

IUPAC2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)c1cccnc1F
InChIInChI=1S/C16H17FN2O2/c1-11(4-5-12-6-8-13(20)9-7-12)19-16(21)14-3-2-10-18-15(14)17/h2-3,6-11,20H,4-5H2,1H3,(H,19,21)
InChIKeyCRWCTDRMGYIGAQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.68
Rot. Bonds5

About 2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide

2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide (PubChem CID 107363208) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide
PubChem CID107363208
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)c1cccnc1F
InChIInChI=1S/C16H17FN2O2/c1-11(4-5-12-6-8-13(20)9-7-12)19-16(21)14-3-2-10-18-15(14)17/h2-3,6-11,20H,4-5H2,1H3,(H,19,21)
InChIKeyCRWCTDRMGYIGAQ-UHFFFAOYSA-N
XLogP2.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877259
3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide
CID 66484690
2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 107358824
2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 97223647
methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate
CID 107358613
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337657
2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 107358920
2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 107358475
4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol
CID 82732195
2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide
CID 106853262
methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate
CID 107358834

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide (CID 107363208) is 2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide is CC(CCc1ccc(O)cc1)NC(=O)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide?
The InChIKey is CRWCTDRMGYIGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(4-5-12-6-8-13(20)9-7-12)19-16(21)14-3-2-10-18-15(14)17/h2-3,6-11,20H,4-5H2,1H3,(H,19,21).
What are the key properties of 2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide?
2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 107363208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).