2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide

C15H16FN3O2 — CID 105387248

IUPAC2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide
SMILESNc1nccc(C(=O)Nc2cccc(CCCO)c2)c1F
InChIInChI=1S/C15H16FN3O2/c16-13-12(6-7-18-14(13)17)15(21)19-11-5-1-3-10(9-11)4-2-8-20/h1,3,5-7,9,20H,2,4,8H2,(H2,17,18)(H,19,21)
InChIKeyALZBKMYGXZWXAV-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.98
Rot. Bonds5

About 2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide

2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide (PubChem CID 105387248) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide
PubChem CID105387248
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide
SMILESNc1nccc(C(=O)Nc2cccc(CCCO)c2)c1F
InChIInChI=1S/C15H16FN3O2/c16-13-12(6-7-18-14(13)17)15(21)19-11-5-1-3-10(9-11)4-2-8-20/h1,3,5-7,9,20H,2,4,8H2,(H2,17,18)(H,19,21)
InChIKeyALZBKMYGXZWXAV-UHFFFAOYSA-N
XLogP1.98
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 114344635
2-amino-N-(4-ethylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384537
2-amino-N-(3-bromo-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105387341
2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384093
2-amino-N-(2,6-difluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105384666
2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 107689573
2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 105386900
2-amino-N-(2,6-diethylphenyl)-3-fluoropyridine-4-carboxamide
CID 105384043
5-chloro-N-[3-(3-hydroxypropyl)phenyl]pyrazine-2-carboxamide
CID 107372169
2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 107856311
3-fluoro-N-(3-fluorophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105387962
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide (CID 105387248) is 2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide is Nc1nccc(C(=O)Nc2cccc(CCCO)c2)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide?
The InChIKey is ALZBKMYGXZWXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-13-12(6-7-18-14(13)17)15(21)19-11-5-1-3-10(9-11)4-2-8-20/h1,3,5-7,9,20H,2,4,8H2,(H2,17,18)(H,19,21).
What are the key properties of 2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide?
2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 105387248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).