2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide

C22H23N3O3 — CID 86820762

IUPAC2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)n1
InChIInChI=1S/C22H23N3O3/c1-14-6-5-7-16(24-14)13-23-20(26)15-10-11-18-19(12-15)22(28)25(21(18)27)17-8-3-2-4-9-17/h5-7,10-12,17H,2-4,8-9,13H2,1H3,(H,23,26)
InChIKeyHEWZUGIKQMQDLC-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.25
Rot. Bonds4

About 2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide

2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 86820762) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID86820762
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)n1
InChIInChI=1S/C22H23N3O3/c1-14-6-5-7-16(24-14)13-23-20(26)15-10-11-18-19(12-15)22(28)25(21(18)27)17-8-3-2-4-9-17/h5-7,10-12,17H,2-4,8-9,13H2,1H3,(H,23,26)
InChIKeyHEWZUGIKQMQDLC-UHFFFAOYSA-N
XLogP3.25
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304
2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540506
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 86974143
2-cyclohexyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108572001
N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 119997286
2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540023
phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate
CID 108571993
2-cyclohexyl-1,3-dioxo-N-[3-oxo-3-(propan-2-ylamino)propyl]isoindole-5-carboxamide
CID 55599710
2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 39033368
2-cyclohexyl-1,3-dioxo-N-(pyrrolidin-2-ylmethyl)isoindole-5-carboxamide
CID 119511117

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide (CID 86820762) is 2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide is Cc1cccc(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)n1.
What is the InChIKey of 2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is HEWZUGIKQMQDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-6-5-7-16(24-14)13-23-20(26)15-10-11-18-19(12-15)22(28)25(21(18)27)17-8-3-2-4-9-17/h5-7,10-12,17H,2-4,8-9,13H2,1H3,(H,23,26).
What are the key properties of 2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 86820762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).