4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine

C11H15ClN4O3 — CID 24903165

IUPAC4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1c(Cl)ccnc1NCCN1CCOCC1
InChIInChI=1S/C11H15ClN4O3/c12-9-1-2-13-11(10(9)16(17)18)14-3-4-15-5-7-19-8-6-15/h1-2H,3-8H2,(H,13,14)
InChIKeyBVYSAWZLDMENQW-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.39
Rot. Bonds5

About 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine

4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine (PubChem CID 24903165) has the molecular formula C11H15ClN4O3 and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
PubChem CID24903165
Molecular FormulaC11H15ClN4O3
Molecular Weight286.72 g/mol
Exact Mass286.08
IUPAC Name4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1c(Cl)ccnc1NCCN1CCOCC1
InChIInChI=1S/C11H15ClN4O3/c12-9-1-2-13-11(10(9)16(17)18)14-3-4-15-5-7-19-8-6-15/h1-2H,3-8H2,(H,13,14)
InChIKeyBVYSAWZLDMENQW-UHFFFAOYSA-N
XLogP1.39
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 24903164
4-N-[(4-chlorophenyl)methyl]-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22534952
4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 2959291
4-N-(2,4-dichlorophenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22534185
4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one
CID 135709667
6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
CID 22538786
4-N-(5-chloro-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 23486009
6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
CID 22537557
N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526884
4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22533352
4-N-cycloheptyl-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22538765
6-N-(3-methoxypropyl)-4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22526593

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine?
The IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine (CID 24903165) is 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine is O=[N+]([O-])c1c(Cl)ccnc1NCCN1CCOCC1.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine?
The InChIKey is BVYSAWZLDMENQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3/c12-9-1-2-13-11(10(9)16(17)18)14-3-4-15-5-7-19-8-6-15/h1-2H,3-8H2,(H,13,14).
What are the key properties of 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine?
4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine has a molecular weight of 286.72 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 24903165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).