N,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide

C22H29N7O3 — CID 122191620

IUPACN,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
SMILESCCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(NC(=O)NCCOC)nc21
InChIInChI=1S/C22H29N7O3/c1-4-28-16(21(30)29(13-5-6-13)14-7-8-14)11-15-18-17(24-12-27(18)2)19(25-20(15)28)26-22(31)23-9-10-32-3/h11-14H,4-10H2,1-3H3,(H2,23,25,26,31)
InChIKeyCFNPJFCYTRTKMW-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.48
Rot. Bonds8

About N,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide

N,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (PubChem CID 122191620) has the molecular formula C22H29N7O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide.

Molecular Properties

Compound NameN,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
PubChem CID122191620
Molecular FormulaC22H29N7O3
Molecular Weight439.52 g/mol
Exact Mass439.23
IUPAC NameN,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
SMILESCCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(NC(=O)NCCOC)nc21
InChIInChI=1S/C22H29N7O3/c1-4-28-16(21(30)29(13-5-6-13)14-7-8-14)11-15-18-17(24-12-27(18)2)19(25-20(15)28)26-22(31)23-9-10-32-3/h11-14H,4-10H2,1-3H3,(H2,23,25,26,31)
InChIKeyCFNPJFCYTRTKMW-UHFFFAOYSA-N
XLogP2.48
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The IUPAC name of N,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (CID 122191620) is N,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide.
What is the SMILES notation for N,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The canonical SMILES for N,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide is CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(NC(=O)NCCOC)nc21.
What is the InChIKey of N,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The InChIKey is CFNPJFCYTRTKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O3/c1-4-28-16(21(30)29(13-5-6-13)14-7-8-14)11-15-18-17(24-12-27(18)2)19(25-20(15)28)26-22(31)23-9-10-32-3/h11-14H,4-10H2,1-3H3,(H2,23,25,26,31).
What are the key properties of N,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
N,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclopropyl-10-ethyl-7-(2-methoxyethylcarbamoylamino)-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide is sourced from PubChem (CID 122191620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).