N-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide

C17H20FN3O2 — CID 75496581

IUPACN-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide
SMILESCN(C)CCN(Cc1cccc(O)c1)C(=O)c1cncc(F)c1
InChIInChI=1S/C17H20FN3O2/c1-20(2)6-7-21(12-13-4-3-5-16(22)8-13)17(23)14-9-15(18)11-19-10-14/h3-5,8-11,22H,6-7,12H2,1-2H3
InChIKeyOODSQQFPHXUWGC-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 75496581) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID75496581
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide
SMILESCN(C)CCN(Cc1cccc(O)c1)C(=O)c1cncc(F)c1
InChIInChI=1S/C17H20FN3O2/c1-20(2)6-7-21(12-13-4-3-5-16(22)8-13)17(23)14-9-15(18)11-19-10-14/h3-5,8-11,22H,6-7,12H2,1-2H3
InChIKeyOODSQQFPHXUWGC-UHFFFAOYSA-N
XLogP2.13
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide (CID 75496581) is N-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide is CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cncc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is OODSQQFPHXUWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-20(2)6-7-21(12-13-4-3-5-16(22)8-13)17(23)14-9-15(18)11-19-10-14/h3-5,8-11,22H,6-7,12H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 75496581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).