N-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide

C20H21N5O — CID 10958968

IUPACN-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2nc3ccc4c(ccn4C)c3nc12
InChIInChI=1S/C20H21N5O/c1-24(2)12-10-21-20(26)14-5-4-6-15-19(14)23-18-13-9-11-25(3)17(13)8-7-16(18)22-15/h4-9,11H,10,12H2,1-3H3,(H,21,26)
InChIKeyVAFAKEIDCNCWAF-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.57
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide

N-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide (PubChem CID 10958968) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide
PubChem CID10958968
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2nc3ccc4c(ccn4C)c3nc12
InChIInChI=1S/C20H21N5O/c1-24(2)12-10-21-20(26)14-5-4-6-15-19(14)23-18-13-9-11-25(3)17(13)8-7-16(18)22-15/h4-9,11H,10,12H2,1-3H3,(H,21,26)
InChIKeyVAFAKEIDCNCWAF-UHFFFAOYSA-N
XLogP2.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-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-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide (CID 10958968) is N-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide is CN(C)CCNC(=O)c1cccc2nc3ccc4c(ccn4C)c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide?
The InChIKey is VAFAKEIDCNCWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-24(2)12-10-21-20(26)14-5-4-6-15-19(14)23-18-13-9-11-25(3)17(13)8-7-16(18)22-15/h4-9,11H,10,12H2,1-3H3,(H,21,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide?
N-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-methylpyrrolo[3,2-a]phenazine-10-carboxamide is sourced from PubChem (CID 10958968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).