2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide

C24H30N4O2 — CID 55706236

IUPAC2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)C1CCCCC1C(=O)N1CCc2ccccc21
InChIInChI=1S/C24H30N4O2/c1-27(2)22-18(9-7-14-25-22)16-26-23(29)19-10-4-5-11-20(19)24(30)28-15-13-17-8-3-6-12-21(17)28/h3,6-9,12,14,19-20H,4-5,10-11,13,15-16H2,1-2H3,(H,26,29)
InChIKeyYSMNXAGTHQMZLL-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.16
Rot. Bonds5

About 2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide

2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide (PubChem CID 55706236) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
PubChem CID55706236
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)C1CCCCC1C(=O)N1CCc2ccccc21
InChIInChI=1S/C24H30N4O2/c1-27(2)22-18(9-7-14-25-22)16-26-23(29)19-10-4-5-11-20(19)24(30)28-15-13-17-8-3-6-12-21(17)28/h3,6-9,12,14,19-20H,4-5,10-11,13,15-16H2,1-2H3,(H,26,29)
InChIKeyYSMNXAGTHQMZLL-UHFFFAOYSA-N
XLogP3.16
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroindole-1-carbonyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 55577425
2-(2,3-dihydroindole-1-carbonyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclohexane-1-carboxamide
CID 55981073
2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
CID 55533127
2-(2,3-dihydroindole-1-carbonyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 51166570
2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 46613887
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 39761234
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 37426155
(2S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026231
methyl (E)-4-[[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]but-2-enoate
CID 146095874
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide
CID 56578467
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 109137070
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51948290

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide (CID 55706236) is 2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide is CN(C)c1ncccc1CNC(=O)C1CCCCC1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is YSMNXAGTHQMZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-27(2)22-18(9-7-14-25-22)16-26-23(29)19-10-4-5-11-20(19)24(30)28-15-13-17-8-3-6-12-21(17)28/h3,6-9,12,14,19-20H,4-5,10-11,13,15-16H2,1-2H3,(H,26,29).
What are the key properties of 2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide?
2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 55706236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).