N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

C17H20N2O — CID 47086396

IUPACN-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1cc2ccccc2[nH]1)C1CC2CCC1C2
InChIInChI=1S/C17H20N2O/c20-17(15-8-11-5-6-12(15)7-11)18-10-14-9-13-3-1-2-4-16(13)19-14/h1-4,9,11-12,15,19H,5-8,10H2,(H,18,20)
InChIKeyYMQFPVIYMRKXHP-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.22
Rot. Bonds3

About N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 47086396) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID47086396
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1cc2ccccc2[nH]1)C1CC2CCC1C2
InChIInChI=1S/C17H20N2O/c20-17(15-8-11-5-6-12(15)7-11)18-10-14-9-13-3-1-2-4-16(13)19-14/h1-4,9,11-12,15,19H,5-8,10H2,(H,18,20)
InChIKeyYMQFPVIYMRKXHP-UHFFFAOYSA-N
XLogP3.22
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-indol-2-ylmethylcarbamic acid
CID 68691362
(1S,2R,4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98680037
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7471796
(1S,2R,4S)-N-[[4-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 129376830
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1H-indol-2-ylmethyl)urea
CID 111630800
4-[(bicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid
CID 43209946
1-cyclopentyl-N-(1H-indol-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71935324
1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea
CID 97048634
(1S,2S,4S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98681836
(1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98341757
2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide
CID 119073104

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 47086396) is N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCc1cc2ccccc2[nH]1)C1CC2CCC1C2.
What is the InChIKey of N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is YMQFPVIYMRKXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(15-8-11-5-6-12(15)7-11)18-10-14-9-13-3-1-2-4-16(13)19-14/h1-4,9,11-12,15,19H,5-8,10H2,(H,18,20).
What are the key properties of N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 47086396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).