N-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

C27H33N3O — CID 5159446

IUPACN-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C27H33N3O/c1-24(2)25(3)8-9-27(24,22-21(25)28-19-6-4-5-7-20(19)29-22)23(31)30-26-13-16-10-17(14-26)12-18(11-16)15-26/h4-7,16-18H,8-15H2,1-3H3,(H,30,31)
InChIKeyHDVMTFVOTJKDSD-UHFFFAOYSA-N
MW415.58 g/mol
LogP5.04
Rot. Bonds2

About N-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

N-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 5159446) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is N-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID5159446
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC NameN-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C27H33N3O/c1-24(2)25(3)8-9-27(24,22-21(25)28-19-6-4-5-7-20(19)29-22)23(31)30-26-13-16-10-17(14-26)12-18(11-16)15-26/h4-7,16-18H,8-15H2,1-3H3,(H,30,31)
InChIKeyHDVMTFVOTJKDSD-UHFFFAOYSA-N
XLogP5.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 5159446) is N-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is CC12CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)(c3nc4ccccc4nc31)C2(C)C.
What is the InChIKey of N-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is HDVMTFVOTJKDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O/c1-24(2)25(3)8-9-27(24,22-21(25)28-19-6-4-5-7-20(19)29-22)23(31)30-26-13-16-10-17(14-26)12-18(11-16)15-26/h4-7,16-18H,8-15H2,1-3H3,(H,30,31).
What are the key properties of N-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
N-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 5159446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).