1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide

C23H20N2O5 — CID 172669484

IUPAC1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C23H20N2O5/c1-13-8-9-25(15-6-7-18-19(11-15)30-12-29-18)23(28)20(13)22(27)24-21-16-5-3-2-4-14(16)10-17(21)26/h2-9,11,17,21,26H,10,12H2,1H3,(H,24,27)/t17-,21+/m0/s1
InChIKeyGFHKHFXPUPDXTG-LAUBAEHRSA-N
MW404.42 g/mol
LogP2.26
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172669484) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide
PubChem CID172669484
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C23H20N2O5/c1-13-8-9-25(15-6-7-18-19(11-15)30-12-29-18)23(28)20(13)22(27)24-21-16-5-3-2-4-14(16)10-17(21)26/h2-9,11,17,21,26H,10,12H2,1H3,(H,24,27)/t17-,21+/m0/s1
InChIKeyGFHKHFXPUPDXTG-LAUBAEHRSA-N
XLogP2.26
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172664338
1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 172665353
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(oxan-4-ylmethyl)-2-oxopyridine-3-carboxamide
CID 172670662
1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide
CID 172661264
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride
CID 172910020
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1-(1,3-benzodioxol-5-yl)-4-methylpyridin-2-one
CID 172658823
methyl (2S,3S)-2-[[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate
CID 172667595
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide
CID 172669805
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(6-methyl-2-oxo-3,4-dihydro-1H-quinolin-8-yl)-2-oxopyridine-3-carboxamide
CID 172672182
4-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 172665514
1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one
CID 172668299
1-(1,3-benzodioxol-5-yl)-4-methyl-3-[3-(methylsulfonylmethyl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 172670114

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide (CID 172669484) is 1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide is Cc1ccn(-c2ccc3c(c2)OCO3)c(=O)c1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is GFHKHFXPUPDXTG-LAUBAEHRSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-13-8-9-25(15-6-7-18-19(11-15)30-12-29-18)23(28)20(13)22(27)24-21-16-5-3-2-4-14(16)10-17(21)26/h2-9,11,17,21,26H,10,12H2,1H3,(H,24,27)/t17-,21+/m0/s1.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172669484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).