N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide

C17H20N6O — CID 136631260

IUPACN-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CCN(c2cc[nH]c3nnc4nccc4c23)C1
InChIInChI=1S/C17H20N6O/c1-2-6-20-17(24)11-5-9-23(10-11)13-4-8-19-16-14(13)12-3-7-18-15(12)21-22-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,22)(H,20,24)
InChIKeyDCJVUCSHJYUMCC-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.86
Rot. Bonds4

About N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide

N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide (PubChem CID 136631260) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide
PubChem CID136631260
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CCN(c2cc[nH]c3nnc4nccc4c23)C1
InChIInChI=1S/C17H20N6O/c1-2-6-20-17(24)11-5-9-23(10-11)13-4-8-19-16-14(13)12-3-7-18-15(12)21-22-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,22)(H,20,24)
InChIKeyDCJVUCSHJYUMCC-UHFFFAOYSA-N
XLogP1.86
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 140686247
1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide
CID 140686230
1-(5,7,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 140686244
1-(5,7,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
CID 140686246
1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 159196593
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
1-(11-methyl-5,7,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 140686273
N-propyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203022
methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]boronamidic acid
CID 136610775
N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide
CID 133373804
1-(11-methyl-5,7,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidine-3-carboxylic acid
CID 136631291

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide (CID 136631260) is N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide is CCCNC(=O)C1CCN(c2cc[nH]c3nnc4nccc4c23)C1.
What is the InChIKey of N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide?
The InChIKey is DCJVUCSHJYUMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-2-6-20-17(24)11-5-9-23(10-11)13-4-8-19-16-14(13)12-3-7-18-15(12)21-22-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide?
N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 136631260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).