5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide

C21H24N2O4 — CID 158191284

IUPAC5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc([C@H](C)O)c2)c1=O
InChIInChI=1S/C21H24N2O4/c1-13(24)16-5-3-4-15(8-16)11-23-12-17(19(25)9-14-6-7-14)10-18(21(23)27)20(26)22-2/h3-5,8,10,12-14,24H,6-7,9,11H2,1-2H3,(H,22,26)/t13-/m0/s1
InChIKeyFZUAOMXUZANUOK-ZDUSSCGKSA-N
MW368.43 g/mol
LogP2.29
Rot. Bonds7

About 5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide

5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 158191284) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID158191284
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc([C@H](C)O)c2)c1=O
InChIInChI=1S/C21H24N2O4/c1-13(24)16-5-3-4-15(8-16)11-23-12-17(19(25)9-14-6-7-14)10-18(21(23)27)20(26)22-2/h3-5,8,10,12-14,24H,6-7,9,11H2,1-2H3,(H,22,26)/t13-/m0/s1
InChIKeyFZUAOMXUZANUOK-ZDUSSCGKSA-N
XLogP2.29
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 158191284) is 5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc([C@H](C)O)c2)c1=O.
What is the InChIKey of 5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is FZUAOMXUZANUOK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13(24)16-5-3-4-15(8-16)11-23-12-17(19(25)9-14-6-7-14)10-18(21(23)27)20(26)22-2/h3-5,8,10,12-14,24H,6-7,9,11H2,1-2H3,(H,22,26)/t13-/m0/s1.
What are the key properties of 5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide?
5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylacetyl)-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 158191284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).