N-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide

C24H26FN3O4 — CID 134177786

IUPACN-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1cccc(-c2cccc(NC(=O)c3cc(CNCCO)cn(C)c3=O)c2C)c1F
InChIInChI=1S/C24H26FN3O4/c1-15-17(18-7-5-9-21(32-3)22(18)25)6-4-8-20(15)27-23(30)19-12-16(13-26-10-11-29)14-28(2)24(19)31/h4-9,12,14,26,29H,10-11,13H2,1-3H3,(H,27,30)
InChIKeyXMUJGBSWFNETBL-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.84
Rot. Bonds8

About N-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 134177786) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is N-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID134177786
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC NameN-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1cccc(-c2cccc(NC(=O)c3cc(CNCCO)cn(C)c3=O)c2C)c1F
InChIInChI=1S/C24H26FN3O4/c1-15-17(18-7-5-9-21(32-3)22(18)25)6-4-8-20(15)27-23(30)19-12-16(13-26-10-11-29)14-28(2)24(19)31/h4-9,12,14,26,29H,10-11,13H2,1-3H3,(H,27,30)
InChIKeyXMUJGBSWFNETBL-UHFFFAOYSA-N
XLogP2.84
TPSA92.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 134177786) is N-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide is COc1cccc(-c2cccc(NC(=O)c3cc(CNCCO)cn(C)c3=O)c2C)c1F.
What is the InChIKey of N-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is XMUJGBSWFNETBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4/c1-15-17(18-7-5-9-21(32-3)22(18)25)6-4-8-20(15)27-23(30)19-12-16(13-26-10-11-29)14-28(2)24(19)31/h4-9,12,14,26,29H,10-11,13H2,1-3H3,(H,27,30).
What are the key properties of N-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-3-methoxyphenyl)-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 134177786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).