N-(2-adamantyl)isoquinoline-1-carboxamide

C20H22N2O — CID 59799646

IUPACN-(2-adamantyl)isoquinoline-1-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1nccc2ccccc12
InChIInChI=1S/C20H22N2O/c23-20(19-17-4-2-1-3-14(17)5-6-21-19)22-18-15-8-12-7-13(10-15)11-16(18)9-12/h1-6,12-13,15-16,18H,7-11H2,(H,22,23)
InChIKeyDTGGDUPMLMMABH-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.79
Rot. Bonds2

About N-(2-adamantyl)isoquinoline-1-carboxamide

N-(2-adamantyl)isoquinoline-1-carboxamide (PubChem CID 59799646) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2-adamantyl)isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)isoquinoline-1-carboxamide
PubChem CID59799646
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-(2-adamantyl)isoquinoline-1-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1nccc2ccccc12
InChIInChI=1S/C20H22N2O/c23-20(19-17-4-2-1-3-14(17)5-6-21-19)22-18-15-8-12-7-13(10-15)11-16(18)9-12/h1-6,12-13,15-16,18H,7-11H2,(H,22,23)
InChIKeyDTGGDUPMLMMABH-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)isoquinoline-1-carboxamide?
The IUPAC name of N-(2-adamantyl)isoquinoline-1-carboxamide (CID 59799646) is N-(2-adamantyl)isoquinoline-1-carboxamide.
What is the SMILES notation for N-(2-adamantyl)isoquinoline-1-carboxamide?
The canonical SMILES for N-(2-adamantyl)isoquinoline-1-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1nccc2ccccc12.
What is the InChIKey of N-(2-adamantyl)isoquinoline-1-carboxamide?
The InChIKey is DTGGDUPMLMMABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c23-20(19-17-4-2-1-3-14(17)5-6-21-19)22-18-15-8-12-7-13(10-15)11-16(18)9-12/h1-6,12-13,15-16,18H,7-11H2,(H,22,23).
What are the key properties of N-(2-adamantyl)isoquinoline-1-carboxamide?
N-(2-adamantyl)isoquinoline-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)isoquinoline-1-carboxamide is sourced from PubChem (CID 59799646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).