6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide

C21H20FN3O2 — CID 56754751

IUPAC6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccn1)c1ccc(-c2ccc(F)c(CO)c2)nc1
InChIInChI=1S/C21H20FN3O2/c22-19-8-6-15(12-17(19)14-26)20-9-7-16(13-25-20)21(27)24-11-3-5-18-4-1-2-10-23-18/h1-2,4,6-10,12-13,26H,3,5,11,14H2,(H,24,27)
InChIKeySOBQOAXVOJJMIT-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.14
Rot. Bonds7

About 6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide

6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide (PubChem CID 56754751) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
PubChem CID56754751
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccn1)c1ccc(-c2ccc(F)c(CO)c2)nc1
InChIInChI=1S/C21H20FN3O2/c22-19-8-6-15(12-17(19)14-26)20-9-7-16(13-25-20)21(27)24-11-3-5-18-4-1-2-10-23-18/h1-2,4,6-10,12-13,26H,3,5,11,14H2,(H,24,27)
InChIKeySOBQOAXVOJJMIT-UHFFFAOYSA-N
XLogP3.14
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Pf-05105679
CID 60195662
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4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
methyl 4'-(phenethylcarbamoyl)-[2,2'-bipyridine]-4-carboxylate (N4)
CID 121595845
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CID 42603033
N-(4-tert-butylphenyl)-4-(3-(hydroxymethyl)pyridin-2-yl)benzamide
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CID 68288164

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide (CID 56754751) is 6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide is O=C(NCCCc1ccccn1)c1ccc(-c2ccc(F)c(CO)c2)nc1.
What is the InChIKey of 6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
The InChIKey is SOBQOAXVOJJMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-19-8-6-15(12-17(19)14-26)20-9-7-16(13-25-20)21(27)24-11-3-5-18-4-1-2-10-23-18/h1-2,4,6-10,12-13,26H,3,5,11,14H2,(H,24,27).
What are the key properties of 6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-3-(hydroxymethyl)phenyl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 56754751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).