N',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine

C17H21N5O2 — CID 44523414

IUPACN',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ccnc2[nH]c3ccc([N+](=O)[O-])cc3c12
InChIInChI=1S/C17H21N5O2/c1-3-21(4-2)10-9-18-15-7-8-19-17-16(15)13-11-12(22(23)24)5-6-14(13)20-17/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyIKZLKTALESMFOO-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.38
Rot. Bonds7

About N',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine

N',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine (PubChem CID 44523414) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine
PubChem CID44523414
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ccnc2[nH]c3ccc([N+](=O)[O-])cc3c12
InChIInChI=1S/C17H21N5O2/c1-3-21(4-2)10-9-18-15-7-8-19-17-16(15)13-11-12(22(23)24)5-6-14(13)20-17/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyIKZLKTALESMFOO-UHFFFAOYSA-N
XLogP3.38
TPSA87.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine (CID 44523414) is N',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine is CCN(CC)CCNc1ccnc2[nH]c3ccc([N+](=O)[O-])cc3c12.
What is the InChIKey of N',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine?
The InChIKey is IKZLKTALESMFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-21(4-2)10-9-18-15-7-8-19-17-16(15)13-11-12(22(23)24)5-6-14(13)20-17/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20).
What are the key properties of N',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine has a molecular weight of 327.39 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(6-nitro-9H-pyrido[2,3-b]indol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 44523414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).