N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide

C24H29N3O4 — CID 46966541

IUPACN-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide
SMILESO=C(NCC1CCC(C(=O)NCCN2CCc3ccccc32)CC1)c1ccc(=O)oc1
InChIInChI=1S/C24H29N3O4/c28-22-10-9-20(16-31-22)24(30)26-15-17-5-7-19(8-6-17)23(29)25-12-14-27-13-11-18-3-1-2-4-21(18)27/h1-4,9-10,16-17,19H,5-8,11-15H2,(H,25,29)(H,26,30)
InChIKeyPTABIEVUPLJKAY-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.35
Rot. Bonds7

About N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide

N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide (PubChem CID 46966541) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide
PubChem CID46966541
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide
SMILESO=C(NCC1CCC(C(=O)NCCN2CCc3ccccc32)CC1)c1ccc(=O)oc1
InChIInChI=1S/C24H29N3O4/c28-22-10-9-20(16-31-22)24(30)26-15-17-5-7-19(8-6-17)23(29)25-12-14-27-13-11-18-3-1-2-4-21(18)27/h1-4,9-10,16-17,19H,5-8,11-15H2,(H,25,29)(H,26,30)
InChIKeyPTABIEVUPLJKAY-UHFFFAOYSA-N
XLogP2.35
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide
CID 51504785
N-[2-(2,3-dihydroindol-1-yl)ethyl]piperidine-4-carboxamide
CID 155615979
cis-(1S,3R)-3-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 133134060
N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-6-oxopyran-3-carboxamide
CID 164688722
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46963818
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 73052052
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110620154
(3S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97191213
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 38464944
(1S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 95217368
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851186
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
CID 112501997

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide?
The IUPAC name of N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide (CID 46966541) is N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide is O=C(NCC1CCC(C(=O)NCCN2CCc3ccccc32)CC1)c1ccc(=O)oc1.
What is the InChIKey of N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide?
The InChIKey is PTABIEVUPLJKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c28-22-10-9-20(16-31-22)24(30)26-15-17-5-7-19(8-6-17)23(29)25-12-14-27-13-11-18-3-1-2-4-21(18)27/h1-4,9-10,16-17,19H,5-8,11-15H2,(H,25,29)(H,26,30).
What are the key properties of N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide?
N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide is sourced from PubChem (CID 46966541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).