1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide

C22H27N3O3 — CID 159311932

IUPAC1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)C[C@@H]2C[C@H]2CN(C)C)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C22H27N3O3/c1-23-21(27)19-10-18(20(26)11-16-9-17(16)13-24(2)3)14-25(22(19)28)12-15-7-5-4-6-8-15/h4-8,10,14,16-17H,9,11-13H2,1-3H3,(H,23,27)/t16-,17-/m0/s1
InChIKeyMUEFHVFEZAQRIB-IRXDYDNUSA-N
MW381.48 g/mol
LogP2.03
Rot. Bonds8

About 1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide

1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 159311932) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID159311932
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)C[C@@H]2C[C@H]2CN(C)C)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C22H27N3O3/c1-23-21(27)19-10-18(20(26)11-16-9-17(16)13-24(2)3)14-25(22(19)28)12-15-7-5-4-6-8-15/h4-8,10,14,16-17H,9,11-13H2,1-3H3,(H,23,27)/t16-,17-/m0/s1
InChIKeyMUEFHVFEZAQRIB-IRXDYDNUSA-N
XLogP2.03
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160864005
N-methyl-5-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 160757758
1-benzyl-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126675355
1-[(3-methoxyphenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide
CID 158863344
1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 158224841
1-benzyl-3-N-methyl-2-oxo-5-N-[(1R,2R)-2-propylcyclopropyl]pyridine-3,5-dicarboxamide
CID 139538162
1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
CID 160654627
5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 148828457
5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide;5-[2-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 161227412
1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538101
1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide
CID 159534697
tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate
CID 139538195

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 159311932) is 1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)C[C@@H]2C[C@H]2CN(C)C)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is MUEFHVFEZAQRIB-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-23-21(27)19-10-18(20(26)11-16-9-17(16)13-24(2)3)14-25(22(19)28)12-15-7-5-4-6-8-15/h4-8,10,14,16-17H,9,11-13H2,1-3H3,(H,23,27)/t16-,17-/m0/s1.
What are the key properties of 1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?
1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 159311932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).