N,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide

C25H29N5O — CID 3258221

IUPACN,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)N(CCC#N)CCC#N)CCC3(C)C1(C)C
InChIInChI=1S/C25H29N5O/c1-16-14-18-19(15-17(16)2)29-21-20(28-18)24(5)8-9-25(21,23(24,3)4)22(31)30(12-6-10-26)13-7-11-27/h14-15H,6-9,12-13H2,1-5H3
InChIKeyLRLGCTNFXRRQPP-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.23
Rot. Bonds5

About N,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide

N,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (PubChem CID 3258221) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
PubChem CID3258221
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC NameN,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)N(CCC#N)CCC#N)CCC3(C)C1(C)C
InChIInChI=1S/C25H29N5O/c1-16-14-18-19(15-17(16)2)29-21-20(28-18)24(5)8-9-25(21,23(24,3)4)22(31)30(12-6-10-26)13-7-11-27/h14-15H,6-9,12-13H2,1-5H3
InChIKeyLRLGCTNFXRRQPP-UHFFFAOYSA-N
XLogP4.23
TPSA93.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide with MolForge

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Related Compounds

(1R,4S)-N,N,4,11,11-pentamethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamide
CID 664404
4,11,11-Trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamide
CID 2947641
(4-methylpiperazin-1-yl)(4,11,11-trimethyl-3,4-dihydro-1,4-methanophenazin-1(2H)-yl)methanone
CID 2951126
4,7,8,11,11-Pentamethyl-3,4-dihydro-2H-1,4-methano-phenazine-1-carboxylic acid dimethylamide
CID 3159358
N-ethyl-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.0~2,11~.0~4,9~]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
CID 2957793
6,7,12,15,15-pentamethyl-N-propyl-3,10-diazatetracyclo[10.2.1.0~2,11~.0~4,9~]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
CID 3159359
N,4,7,8,11,11-hexamethyl-3,4-dihydro-1,4-methanophenazine-1(2H)-carboxamide
CID 2955751
N-(tert-butyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.0~2,11~.0~4,9~]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
CID 2960184
N-(4-fluorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.0^{2,11}.0^{4,9}]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
CID 2949857
5-[(6-Fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl)carbonyl]-9,9-dimethyl-5,6,7,8-tetrahydro-5,8-methanoquinoxaline-2,3-dicarbonitrile
CID 2973054
1,15,15-Trimethyl-12-(pyrrolidine-1-carbonyl)-3,10-diazatetracyclo[10.2.1.0^{2,11}.0^{4,9}]pentadeca-2(11),3,5,7,9-pentaene
CID 4047915
N-(2-fluorophenyl)-4,11,11-trimethyl-3,4-dihydro-1,4-methanophenazine-1(2H)-carboxamide
CID 2973002

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (CID 3258221) is N,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide is Cc1cc2nc3c(nc2cc1C)C1(C(=O)N(CCC#N)CCC#N)CCC3(C)C1(C)C.
What is the InChIKey of N,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The InChIKey is LRLGCTNFXRRQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-16-14-18-19(15-17(16)2)29-21-20(28-18)24(5)8-9-25(21,23(24,3)4)22(31)30(12-6-10-26)13-7-11-27/h14-15H,6-9,12-13H2,1-5H3.
What are the key properties of N,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
N,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide is sourced from PubChem (CID 3258221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).