N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine

C10H14N4O3 — CID 115324200

IUPACN-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCC2CNCCO2)nc1
InChIInChI=1S/C10H14N4O3/c15-14(16)8-1-2-10(12-5-8)13-7-9-6-11-3-4-17-9/h1-2,5,9,11H,3-4,6-7H2,(H,12,13)
InChIKeyLFFJNIXMDUDROJ-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.39
Rot. Bonds4

About N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine

N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine (PubChem CID 115324200) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
PubChem CID115324200
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCC2CNCCO2)nc1
InChIInChI=1S/C10H14N4O3/c15-14(16)8-1-2-10(12-5-8)13-7-9-6-11-3-4-17-9/h1-2,5,9,11H,3-4,6-7H2,(H,12,13)
InChIKeyLFFJNIXMDUDROJ-UHFFFAOYSA-N
XLogP0.39
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
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-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324081
2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide
CID 115324274
6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile
CID 103472615
N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine
CID 115324252
N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine
CID 115324125
N-[(2-tert-butyloxan-3-yl)methyl]-5-nitropyridin-2-amine
CID 133308946
N-(morpholin-2-ylmethyl)-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106749975
N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine
CID 115324182
N-[(4-methylpiperidin-4-yl)methyl]-5-nitropyridin-2-amine
CID 113400635
2-[3-(4-nitrophenoxy)propyl]morpholine
CID 22012898
morpholin-2-yl-[3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119890658
4-(morpholin-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136979022

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine?
The IUPAC name of N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine (CID 115324200) is N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine?
The canonical SMILES for N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(NCC2CNCCO2)nc1.
What is the InChIKey of N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine?
The InChIKey is LFFJNIXMDUDROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-14(16)8-1-2-10(12-5-8)13-7-9-6-11-3-4-17-9/h1-2,5,9,11H,3-4,6-7H2,(H,12,13).
What are the key properties of N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine?
N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine has a molecular weight of 238.25 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 115324200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).