1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide

C20H21FN2O4 — CID 146719802

IUPAC1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)C[C@H]2C[C@@H]2OC)cn(Cc2ccccc2F)c1=O
InChIInChI=1S/C20H21FN2O4/c1-22-19(25)15-7-14(17(24)8-13-9-18(13)27-2)11-23(20(15)26)10-12-5-3-4-6-16(12)21/h3-7,11,13,18H,8-10H2,1-2H3,(H,22,25)/t13-,18-/m0/s1
InChIKeyRERLVEARUAPQHW-UGSOOPFHSA-N
MW372.40 g/mol
LogP2.00
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide

1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 146719802) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID146719802
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)C[C@H]2C[C@@H]2OC)cn(Cc2ccccc2F)c1=O
InChIInChI=1S/C20H21FN2O4/c1-22-19(25)15-7-14(17(24)8-13-9-18(13)27-2)11-23(20(15)26)10-12-5-3-4-6-16(12)21/h3-7,11,13,18H,8-10H2,1-2H3,(H,22,25)/t13-,18-/m0/s1
InChIKeyRERLVEARUAPQHW-UGSOOPFHSA-N
XLogP2.00
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 146719802) is 1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)C[C@H]2C[C@@H]2OC)cn(Cc2ccccc2F)c1=O.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is RERLVEARUAPQHW-UGSOOPFHSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-22-19(25)15-7-14(17(24)8-13-9-18(13)27-2)11-23(20(15)26)10-12-5-3-4-6-16(12)21/h3-7,11,13,18H,8-10H2,1-2H3,(H,22,25)/t13-,18-/m0/s1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 146719802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).