4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide

C21H24N2O3 — CID 27170949

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide
SMILESCc1cc(C)c(CNC(=O)CCC(=O)c2ccc3c(c2)CCC3)c(=O)[nH]1
InChIInChI=1S/C21H24N2O3/c1-13-10-14(2)23-21(26)18(13)12-22-20(25)9-8-19(24)17-7-6-15-4-3-5-16(15)11-17/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyVJXIDQHTVGIAOS-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.76
Rot. Bonds6

About 4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide

4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide (PubChem CID 27170949) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide
PubChem CID27170949
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide
SMILESCc1cc(C)c(CNC(=O)CCC(=O)c2ccc3c(c2)CCC3)c(=O)[nH]1
InChIInChI=1S/C21H24N2O3/c1-13-10-14(2)23-21(26)18(13)12-22-20(25)9-8-19(24)17-7-6-15-4-3-5-16(15)11-17/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyVJXIDQHTVGIAOS-UHFFFAOYSA-N
XLogP2.76
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide with MolForge

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Related Compounds

N-[(2-methylphenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9104253
N-[(4-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9393455
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methoxy-2,3-dihydro-1H-indene-4-carboxamide
CID 166313224
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 30602319
N-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 30855920
4-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxypropyl)-4-oxobutanamide
CID 78856508
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]hexanamide
CID 38743387
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide
CID 119505485
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide
CID 78792080
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119505484
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 94282659
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide (CID 27170949) is 4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide is Cc1cc(C)c(CNC(=O)CCC(=O)c2ccc3c(c2)CCC3)c(=O)[nH]1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide?
The InChIKey is VJXIDQHTVGIAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-10-14(2)23-21(26)18(13)12-22-20(25)9-8-19(24)17-7-6-15-4-3-5-16(15)11-17/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide?
4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide has a molecular weight of 352.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxobutanamide is sourced from PubChem (CID 27170949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).