N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine

C12H18N4O3 — CID 2848698

IUPACN-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCCN2CCOCC2)nc1
InChIInChI=1S/C12H18N4O3/c17-16(18)11-2-3-12(14-10-11)13-4-1-5-15-6-8-19-9-7-15/h2-3,10H,1,4-9H2,(H,13,14)
InChIKeyCSYAEPYKNUNJLE-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.12
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine

N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine (PubChem CID 2848698) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
PubChem CID2848698
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCCN2CCOCC2)nc1
InChIInChI=1S/C12H18N4O3/c17-16(18)11-2-3-12(14-10-11)13-4-1-5-15-6-8-19-9-7-15/h2-3,10H,1,4-9H2,(H,13,14)
InChIKeyCSYAEPYKNUNJLE-UHFFFAOYSA-N
XLogP1.12
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

2-Morpholino-5-nitropyridine
CID 96872
5-Nitro-2-piperidinopyridine
CID 97158
5-Nitro-N-phenylpyridin-2-amine
CID 81268
1-(3-Nitropyridin-2-yl)piperidine-4-carboxamide
CID 2805612
1-(3-Nitropyridin-2-yl)piperazine
CID 3778834
N-methyl-5-nitropyridin-2-amine
CID 265883
N-Methyl-3-nitro-2-pyridinamine
CID 556349
N,N-dimethyl-N'-(5-nitropyridin-2-yl)benzene-1,4-diamine
CID 3146301
2,6-Dimethyl-4-(5-nitropyridin-2-yl)morpholine
CID 2803164
N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 2848814
1-(5-Nitropyridin-2-yl)-4-phenylpiperazine
CID 2848979
1-(2-Fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 3272115

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine (CID 2848698) is N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(NCCCN2CCOCC2)nc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine?
The InChIKey is CSYAEPYKNUNJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-16(18)11-2-3-12(14-10-11)13-4-1-5-15-6-8-19-9-7-15/h2-3,10H,1,4-9H2,(H,13,14).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine?
N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine has a molecular weight of 266.30 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 2848698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).