6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine

C17H20ClN5O3 — CID 110172152

IUPAC6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine
SMILESO=[N+]([O-])c1ccc(Nc2cccc(Cl)c2)nc1NCCN1CCOCC1
InChIInChI=1S/C17H20ClN5O3/c18-13-2-1-3-14(12-13)20-16-5-4-15(23(24)25)17(21-16)19-6-7-22-8-10-26-11-9-22/h1-5,12H,6-11H2,(H2,19,20,21)
InChIKeyIJGBLOASDYHEEO-UHFFFAOYSA-N
MW377.83 g/mol
LogP3.13
Rot. Bonds7

About 6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine

6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine (PubChem CID 110172152) has the molecular formula C17H20ClN5O3 and a molecular weight of 377.83 g/mol. Its IUPAC name is 6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine
PubChem CID110172152
Molecular FormulaC17H20ClN5O3
Molecular Weight377.83 g/mol
Exact Mass377.13
IUPAC Name6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine
SMILESO=[N+]([O-])c1ccc(Nc2cccc(Cl)c2)nc1NCCN1CCOCC1
InChIInChI=1S/C17H20ClN5O3/c18-13-2-1-3-14(12-13)20-16-5-4-15(23(24)25)17(21-16)19-6-7-22-8-10-26-11-9-22/h1-5,12H,6-11H2,(H2,19,20,21)
InChIKeyIJGBLOASDYHEEO-UHFFFAOYSA-N
XLogP3.13
TPSA92.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

4-N-(3-chlorophenyl)-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine
CID 22526205
6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403496
2-N-(4-chlorophenyl)-4-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4-diamine
CID 21080855
6-(3-chloroanilino)-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109366518
6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 110172016
6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine
CID 80786129
4-N-(2,4-dichlorophenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22534185
6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
CID 113345971
6-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 110172010
4-N-(5-chloro-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 23486009
5-(2-morpholin-4-ylethylamino)-2-nitrobenzonitrile
CID 115348699
4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 24903165

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine (CID 110172152) is 6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine is O=[N+]([O-])c1ccc(Nc2cccc(Cl)c2)nc1NCCN1CCOCC1.
What is the InChIKey of 6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine?
The InChIKey is IJGBLOASDYHEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O3/c18-13-2-1-3-14(12-13)20-16-5-4-15(23(24)25)17(21-16)19-6-7-22-8-10-26-11-9-22/h1-5,12H,6-11H2,(H2,19,20,21).
What are the key properties of 6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine?
6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine has a molecular weight of 377.83 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 110172152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).