N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide

C24H27N3O3 — CID 123692425

IUPACN-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCC(C)(O)C(=O)C1CC(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)=CCN1
InChIInChI=1S/C24H27N3O3/c1-24(2,30)22(28)21-13-17(11-12-25-21)16-7-9-20(10-8-16)26-23(29)27-14-18-5-3-4-6-19(18)15-27/h3-11,21,25,30H,12-15H2,1-2H3,(H,26,29)
InChIKeyMLDXUTZRTMRDPB-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.32
Rot. Bonds4

About N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide

N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 123692425) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID123692425
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCC(C)(O)C(=O)C1CC(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)=CCN1
InChIInChI=1S/C24H27N3O3/c1-24(2,30)22(28)21-13-17(11-12-25-21)16-7-9-20(10-8-16)26-23(29)27-14-18-5-3-4-6-19(18)15-27/h3-11,21,25,30H,12-15H2,1-2H3,(H,26,29)
InChIKeyMLDXUTZRTMRDPB-UHFFFAOYSA-N
XLogP3.32
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 123547495
N-[4-[2-(2,2-dimethylcyclopropanecarbonyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 123712768
N-[4-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 123749606
N-[4-[2-[(3R)-oxolane-3-carbonyl]-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 123718200
4-[4-[4-(1,3-dihydroisoindole-2-carbonylamino)phenyl]phenyl]-2,2-dimethyl-4-oxobutanoate
CID 86633660
N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
CID 68753181
N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
CID 176960927
N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide
CID 86665079
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 86665076
N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 134368549
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
tert-butyl 4-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68751289

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide (CID 123692425) is N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide is CC(C)(O)C(=O)C1CC(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)=CCN1.
What is the InChIKey of N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is MLDXUTZRTMRDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-24(2,30)22(28)21-13-17(11-12-25-21)16-7-9-20(10-8-16)26-23(29)27-14-18-5-3-4-6-19(18)15-27/h3-11,21,25,30H,12-15H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide?
N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-hydroxy-2-methylpropanoyl)-1,2,3,6-tetrahydropyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 123692425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).