5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide

C23H25N3O4 — CID 160951853

IUPAC5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
SMILESCCOC1CC1CC(=O)c1cc(C(=O)NC)c(=O)n(Cc2cccc3[nH]ccc23)c1
InChIInChI=1S/C23H25N3O4/c1-3-30-21-11-15(21)10-20(27)16-9-18(22(28)24-2)23(29)26(13-16)12-14-5-4-6-19-17(14)7-8-25-19/h4-9,13,15,21,25H,3,10-12H2,1-2H3,(H,24,28)
InChIKeySVWCGJZAKXIMCH-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.74
Rot. Bonds8

About 5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide

5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 160951853) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID160951853
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
SMILESCCOC1CC1CC(=O)c1cc(C(=O)NC)c(=O)n(Cc2cccc3[nH]ccc23)c1
InChIInChI=1S/C23H25N3O4/c1-3-30-21-11-15(21)10-20(27)16-9-18(22(28)24-2)23(29)26(13-16)12-14-5-4-6-19-17(14)7-8-25-19/h4-9,13,15,21,25H,3,10-12H2,1-2H3,(H,24,28)
InChIKeySVWCGJZAKXIMCH-UHFFFAOYSA-N
XLogP2.74
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
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-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 162227887
1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676411
1-(1H-indol-4-ylmethyl)-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 171638843
1-(1H-indol-4-ylmethyl)-N-methyl-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
CID 161110422
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
N-methyl-5-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 160757758
1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 159311932
5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676868
5-N-[(1S,2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126675277
1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160864005

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide (CID 160951853) is 5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide is CCOC1CC1CC(=O)c1cc(C(=O)NC)c(=O)n(Cc2cccc3[nH]ccc23)c1.
What is the InChIKey of 5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is SVWCGJZAKXIMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-3-30-21-11-15(21)10-20(27)16-9-18(22(28)24-2)23(29)26(13-16)12-14-5-4-6-19-17(14)7-8-25-19/h4-9,13,15,21,25H,3,10-12H2,1-2H3,(H,24,28).
What are the key properties of 5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide?
5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethoxycyclopropyl)acetyl]-1-(1H-indol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 160951853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).