6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine

C12H17ClN4O3 — CID 103888266

IUPAC6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCCCN2CCOCC2)c1
InChIInChI=1S/C12H17ClN4O3/c13-11-8-10(17(18)19)9-12(15-11)14-2-1-3-16-4-6-20-7-5-16/h8-9H,1-7H2,(H,14,15)
InChIKeyGCZSBIALMRWJOM-UHFFFAOYSA-N
MW300.75 g/mol
LogP1.78
Rot. Bonds6

About 6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine

6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine (PubChem CID 103888266) has the molecular formula C12H17ClN4O3 and a molecular weight of 300.75 g/mol. Its IUPAC name is 6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine
PubChem CID103888266
Molecular FormulaC12H17ClN4O3
Molecular Weight300.75 g/mol
Exact Mass300.10
IUPAC Name6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCCCN2CCOCC2)c1
InChIInChI=1S/C12H17ClN4O3/c13-11-8-10(17(18)19)9-12(15-11)14-2-1-3-16-4-6-20-7-5-16/h8-9H,1-7H2,(H,14,15)
InChIKeyGCZSBIALMRWJOM-UHFFFAOYSA-N
XLogP1.78
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
CID 113345971
6-chloro-4-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103888685
2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 80945888
6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine
CID 80940890
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine
CID 103889013
4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79173434
3-bromo-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79534604
2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline
CID 2927743
6-(3-morpholin-4-ylpropylamino)-3-nitropyridine-2-carbonitrile
CID 103471217
4,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine;ethane
CID 142192256
6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine
CID 103990720

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine (CID 103888266) is 6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine is O=[N+]([O-])c1cc(Cl)nc(NCCCN2CCOCC2)c1.
What is the InChIKey of 6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine?
The InChIKey is GCZSBIALMRWJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O3/c13-11-8-10(17(18)19)9-12(15-11)14-2-1-3-16-4-6-20-7-5-16/h8-9H,1-7H2,(H,14,15).
What are the key properties of 6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine?
6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine has a molecular weight of 300.75 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-morpholin-4-ylpropyl)-4-nitropyridin-2-amine is sourced from PubChem (CID 103888266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).