1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide

C18H18N2O3 — CID 47505612

IUPAC1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(=O)n(CC(=O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H18N2O3/c1-19-18(23)15-7-8-17(22)20(10-15)11-16(21)14-6-5-12-3-2-4-13(12)9-14/h5-10H,2-4,11H2,1H3,(H,19,23)
InChIKeyNSLBTHPVVXFUIE-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.58
Rot. Bonds4

About 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide

1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide (PubChem CID 47505612) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
PubChem CID47505612
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(=O)n(CC(=O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H18N2O3/c1-19-18(23)15-7-8-17(22)20(10-15)11-16(21)14-6-5-12-3-2-4-13(12)9-14/h5-10H,2-4,11H2,1H3,(H,19,23)
InChIKeyNSLBTHPVVXFUIE-UHFFFAOYSA-N
XLogP1.58
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
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2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one
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2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
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2-(4-acetylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368694
3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312250
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4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide
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1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 70972239
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
CID 82113869
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide (CID 47505612) is 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide is CNC(=O)c1ccc(=O)n(CC(=O)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is NSLBTHPVVXFUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-19-18(23)15-7-8-17(22)20(10-15)11-16(21)14-6-5-12-3-2-4-13(12)9-14/h5-10H,2-4,11H2,1H3,(H,19,23).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide?
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 47505612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).