N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide

C20H18FN3O2 — CID 56649673

IUPACN-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide
SMILESCN(Cc1ccccc1O)c1ccc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C20H18FN3O2/c1-24(13-15-4-2-3-5-18(15)25)19-11-6-14(12-22-19)20(26)23-17-9-7-16(21)8-10-17/h2-12,25H,13H2,1H3,(H,23,26)
InChIKeyWTPHZYHGFKLDGS-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.82
Rot. Bonds5

About N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide

N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide (PubChem CID 56649673) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide
PubChem CID56649673
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide
SMILESCN(Cc1ccccc1O)c1ccc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C20H18FN3O2/c1-24(13-15-4-2-3-5-18(15)25)19-11-6-14(12-22-19)20(26)23-17-9-7-16(21)8-10-17/h2-12,25H,13H2,1H3,(H,23,26)
InChIKeyWTPHZYHGFKLDGS-UHFFFAOYSA-N
XLogP3.82
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide (CID 56649673) is N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide is CN(Cc1ccccc1O)c1ccc(C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide?
The InChIKey is WTPHZYHGFKLDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-24(13-15-4-2-3-5-18(15)25)19-11-6-14(12-22-19)20(26)23-17-9-7-16(21)8-10-17/h2-12,25H,13H2,1H3,(H,23,26).
What are the key properties of N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide?
N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[(2-hydroxyphenyl)methyl-methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 56649673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).