N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide

C22H26N4O — CID 4140666

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)C12CC3CC(C1)CC(n1cncn1)(C3)C2
InChIInChI=1S/C22H26N4O/c27-20(25-19-5-4-17-2-1-3-18(17)7-19)21-8-15-6-16(9-21)11-22(10-15,12-21)26-14-23-13-24-26/h4-5,7,13-16H,1-3,6,8-12H2,(H,25,27)
InChIKeyOYVWLCHIXOFZFH-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.70
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide (PubChem CID 4140666) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
PubChem CID4140666
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)C12CC3CC(C1)CC(n1cncn1)(C3)C2
InChIInChI=1S/C22H26N4O/c27-20(25-19-5-4-17-2-1-3-18(17)7-19)21-8-15-6-16(9-21)11-22(10-15,12-21)26-14-23-13-24-26/h4-5,7,13-16H,1-3,6,8-12H2,(H,25,27)
InChIKeyOYVWLCHIXOFZFH-UHFFFAOYSA-N
XLogP3.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide (CID 4140666) is N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide is O=C(Nc1ccc2c(c1)CCC2)C12CC3CC(C1)CC(n1cncn1)(C3)C2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The InChIKey is OYVWLCHIXOFZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c27-20(25-19-5-4-17-2-1-3-18(17)7-19)21-8-15-6-16(9-21)11-22(10-15,12-21)26-14-23-13-24-26/h4-5,7,13-16H,1-3,6,8-12H2,(H,25,27).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide is sourced from PubChem (CID 4140666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).