7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

C26H34N6O2 — CID 5018339

IUPAC7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILES[H]/N=c1\c(C(=O)NCCN2CCCCC2)cc2c(=O)n3cccc(C)c3nc2n1C1CCCCC1
InChIInChI=1S/C26H34N6O2/c1-18-9-8-15-31-23(18)29-24-21(26(31)34)17-20(22(27)32(24)19-10-4-2-5-11-19)25(33)28-12-16-30-13-6-3-7-14-30/h8-9,15,17,19,27H,2-7,10-14,16H2,1H3,(H,28,33)/b27-22+
InChIKeyZDVJZLXWIXQOJV-HPNDGRJYSA-N
MW462.60 g/mol
LogP3.16
Rot. Bonds5

About 7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (PubChem CID 5018339) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound Name7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
PubChem CID5018339
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILES[H]/N=c1\c(C(=O)NCCN2CCCCC2)cc2c(=O)n3cccc(C)c3nc2n1C1CCCCC1
InChIInChI=1S/C26H34N6O2/c1-18-9-8-15-31-23(18)29-24-21(26(31)34)17-20(22(27)32(24)19-10-4-2-5-11-19)25(33)28-12-16-30-13-6-3-7-14-30/h8-9,15,17,19,27H,2-7,10-14,16H2,1H3,(H,28,33)/b27-22+
InChIKeyZDVJZLXWIXQOJV-HPNDGRJYSA-N
XLogP3.16
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The IUPAC name of 7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CID 5018339) is 7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
What is the SMILES notation for 7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The canonical SMILES for 7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is [H]/N=c1\c(C(=O)NCCN2CCCCC2)cc2c(=O)n3cccc(C)c3nc2n1C1CCCCC1.
What is the InChIKey of 7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The InChIKey is ZDVJZLXWIXQOJV-HPNDGRJYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-18-9-8-15-31-23(18)29-24-21(26(31)34)17-20(22(27)32(24)19-10-4-2-5-11-19)25(33)28-12-16-30-13-6-3-7-14-30/h8-9,15,17,19,27H,2-7,10-14,16H2,1H3,(H,28,33)/b27-22+.
What are the key properties of 7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 5018339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).