N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine

C10H14N4O3 — CID 115324252

IUPACN-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ccc(NCC2CNCCO2)cn1
InChIInChI=1S/C10H14N4O3/c15-14(16)10-2-1-8(5-13-10)12-7-9-6-11-3-4-17-9/h1-2,5,9,11-12H,3-4,6-7H2
InChIKeyKQSYQDMRYZFWSV-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.39
Rot. Bonds4

About N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine

N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine (PubChem CID 115324252) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine
PubChem CID115324252
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ccc(NCC2CNCCO2)cn1
InChIInChI=1S/C10H14N4O3/c15-14(16)10-2-1-8(5-13-10)12-7-9-6-11-3-4-17-9/h1-2,5,9,11-12H,3-4,6-7H2
InChIKeyKQSYQDMRYZFWSV-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

N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine
CID 115633969
N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324200
4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324081
6-nitro-N-(oxan-4-ylmethyl)pyridin-3-amine
CID 63713128
2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide
CID 115324274
N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine
CID 115324125
N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine
CID 115324182
N-(morpholin-2-ylmethyl)-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106749975
6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile
CID 103472615
4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline
CID 115237440
3-(morpholin-2-ylmethylamino)-4-nitrobenzamide
CID 82995436
4,5-dimethoxy-N-(morpholin-2-ylmethyl)-2-nitroaniline
CID 83004079

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine?
The IUPAC name of N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine (CID 115324252) is N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine.
What is the SMILES notation for N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine?
The canonical SMILES for N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine is O=[N+]([O-])c1ccc(NCC2CNCCO2)cn1.
What is the InChIKey of N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine?
The InChIKey is KQSYQDMRYZFWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-14(16)10-2-1-8(5-13-10)12-7-9-6-11-3-4-17-9/h1-2,5,9,11-12H,3-4,6-7H2.
What are the key properties of N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine?
N-(morpholin-2-ylmethyl)-6-nitropyridin-3-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)-6-nitropyridin-3-amine is sourced from PubChem (CID 115324252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).