1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide

C21H23FN2O4 — CID 147426566

IUPAC1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2CO)cn(Cc2cccc(C)c2F)c1=O
InChIInChI=1S/C21H23FN2O4/c1-12-4-3-5-13(19(12)22)9-24-10-15(7-17(21(24)28)20(27)23-2)18(26)8-14-6-16(14)11-25/h3-5,7,10,14,16,25H,6,8-9,11H2,1-2H3,(H,23,27)
InChIKeyDTMWBBCUGIFTBG-UHFFFAOYSA-N
MW386.42 g/mol
LogP1.90
Rot. Bonds7

About 1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide

1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 147426566) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID147426566
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2CO)cn(Cc2cccc(C)c2F)c1=O
InChIInChI=1S/C21H23FN2O4/c1-12-4-3-5-13(19(12)22)9-24-10-15(7-17(21(24)28)20(27)23-2)18(26)8-14-6-16(14)11-25/h3-5,7,10,14,16,25H,6,8-9,11H2,1-2H3,(H,23,27)
InChIKeyDTMWBBCUGIFTBG-UHFFFAOYSA-N
XLogP1.90
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 147426566) is 1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CC2CC2CO)cn(Cc2cccc(C)c2F)c1=O.
What is the InChIKey of 1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is DTMWBBCUGIFTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-12-4-3-5-13(19(12)22)9-24-10-15(7-17(21(24)28)20(27)23-2)18(26)8-14-6-16(14)11-25/h3-5,7,10,14,16,25H,6,8-9,11H2,1-2H3,(H,23,27).
What are the key properties of 1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?
1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 147426566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).