5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide

C23H24N4O3 — CID 162227887

IUPAC5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2[C@H]3CNC[C@@H]23)cn(Cc2cccc3[nH]ccc23)c1=O
InChIInChI=1S/C23H24N4O3/c1-24-22(29)17-7-14(21(28)8-16-18-9-25-10-19(16)18)12-27(23(17)30)11-13-3-2-4-20-15(13)5-6-26-20/h2-7,12,16,18-19,25-26H,8-11H2,1H3,(H,24,29)/t16?,18-,19+
InChIKeyZUZRDSQBIFFNHK-JLYLLQBASA-N
MW404.47 g/mol
LogP1.78
Rot. Bonds6

About 5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide

5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 162227887) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID162227887
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2[C@H]3CNC[C@@H]23)cn(Cc2cccc3[nH]ccc23)c1=O
InChIInChI=1S/C23H24N4O3/c1-24-22(29)17-7-14(21(28)8-16-18-9-25-10-19(16)18)12-27(23(17)30)11-13-3-2-4-20-15(13)5-6-26-20/h2-7,12,16,18-19,25-26H,8-11H2,1H3,(H,24,29)/t16?,18-,19+
InChIKeyZUZRDSQBIFFNHK-JLYLLQBASA-N
XLogP1.78
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 160951853
1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676411
1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
CID 161110422
1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 171638843
2-[(1S,5R)-6-[[1-(1H-indol-4-ylmethyl)-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]ethylcarbamic acid
CID 135341762
5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 158670228
5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 158748068
N-methyl-5-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 160757758
1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 158224841
5-N-cyclopropyl-3-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 135323708
4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 155238143

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide (CID 162227887) is 5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CC2[C@H]3CNC[C@@H]23)cn(Cc2cccc3[nH]ccc23)c1=O.
What is the InChIKey of 5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is ZUZRDSQBIFFNHK-JLYLLQBASA-N. The full InChI is InChI=1S/C23H24N4O3/c1-24-22(29)17-7-14(21(28)8-16-18-9-25-10-19(16)18)12-27(23(17)30)11-13-3-2-4-20-15(13)5-6-26-20/h2-7,12,16,18-19,25-26H,8-11H2,1H3,(H,24,29)/t16?,18-,19+.
What are the key properties of 5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide?
5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 162227887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).