N-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide

C20H19N5O2 — CID 10133195

IUPACN-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2nc3ccc4c(=O)[nH]ccc4c3nc12
InChIInChI=1S/C20H19N5O2/c1-25(2)11-10-22-20(27)14-4-3-5-15-18(14)24-17-12-8-9-21-19(26)13(12)6-7-16(17)23-15/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyLPEOTLMZRKHBID-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.92
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide

N-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide (PubChem CID 10133195) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide
PubChem CID10133195
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2nc3ccc4c(=O)[nH]ccc4c3nc12
InChIInChI=1S/C20H19N5O2/c1-25(2)11-10-22-20(27)14-4-3-5-15-18(14)24-17-12-8-9-21-19(26)13(12)6-7-16(17)23-15/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyLPEOTLMZRKHBID-UHFFFAOYSA-N
XLogP1.92
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide (CID 10133195) is N-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide is CN(C)CCNC(=O)c1cccc2nc3ccc4c(=O)[nH]ccc4c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide?
The InChIKey is LPEOTLMZRKHBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25(2)11-10-22-20(27)14-4-3-5-15-18(14)24-17-12-8-9-21-19(26)13(12)6-7-16(17)23-15/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide?
N-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-oxo-3H-pyrido[4,3-a]phenazine-11-carboxamide is sourced from PubChem (CID 10133195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).