5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide

C22H25FN2O4 — CID 148737867

IUPAC5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCCO[C@H]1C[C@@H]1CC(=O)c1cc(C(=O)NC)c(=O)n(Cc2cccc(C)c2F)c1
InChIInChI=1S/C22H25FN2O4/c1-4-29-19-10-15(19)9-18(26)16-8-17(21(27)24-3)22(28)25(12-16)11-14-7-5-6-13(2)20(14)23/h5-8,12,15,19H,4,9-11H2,1-3H3,(H,24,27)/t15-,19-/m0/s1
InChIKeyOCGHEVQBDABEHO-KXBFYZLASA-N
MW400.45 g/mol
LogP2.70
Rot. Bonds8

About 5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide

5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 148737867) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is 5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID148737867
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCCO[C@H]1C[C@@H]1CC(=O)c1cc(C(=O)NC)c(=O)n(Cc2cccc(C)c2F)c1
InChIInChI=1S/C22H25FN2O4/c1-4-29-19-10-15(19)9-18(26)16-8-17(21(27)24-3)22(28)25(12-16)11-14-7-5-6-13(2)20(14)23/h5-8,12,15,19H,4,9-11H2,1-3H3,(H,24,27)/t15-,19-/m0/s1
InChIKeyOCGHEVQBDABEHO-KXBFYZLASA-N
XLogP2.70
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 148737867) is 5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide is CCO[C@H]1C[C@@H]1CC(=O)c1cc(C(=O)NC)c(=O)n(Cc2cccc(C)c2F)c1.
What is the InChIKey of 5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is OCGHEVQBDABEHO-KXBFYZLASA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-4-29-19-10-15(19)9-18(26)16-8-17(21(27)24-3)22(28)25(12-16)11-14-7-5-6-13(2)20(14)23/h5-8,12,15,19H,4,9-11H2,1-3H3,(H,24,27)/t15-,19-/m0/s1.
What are the key properties of 5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 148737867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).