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

C11H16N4O3 — CID 115324081

IUPAC4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
SMILESCc1cc(NCC2CNCCO2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-8-4-11(14-7-10(8)15(16)17)13-6-9-5-12-2-3-18-9/h4,7,9,12H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyGHPKVGSDZPKJJM-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.70
Rot. Bonds4

About 4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine

4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine (PubChem CID 115324081) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
PubChem CID115324081
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
SMILESCc1cc(NCC2CNCCO2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-8-4-11(14-7-10(8)15(16)17)13-6-9-5-12-2-3-18-9/h4,7,9,12H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyGHPKVGSDZPKJJM-UHFFFAOYSA-N
XLogP0.70
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.70
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-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 79173840
N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324200
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132
N-(morpholin-2-ylmethyl)-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106749975
N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133339782
4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine
CID 115669034
6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile
CID 103472615
4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 79176343
N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine
CID 115324252
4,5-dimethoxy-N-(morpholin-2-ylmethyl)-2-nitroaniline
CID 83004079
5-methyl-N-(morpholin-2-ylmethyl)pyridazin-3-amine
CID 106550259
4-(morpholin-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136979022

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine (CID 115324081) is 4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine is Cc1cc(NCC2CNCCO2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine?
The InChIKey is GHPKVGSDZPKJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8-4-11(14-7-10(8)15(16)17)13-6-9-5-12-2-3-18-9/h4,7,9,12H,2-3,5-6H2,1H3,(H,13,14).
What are the key properties of 4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine?
4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine has a molecular weight of 252.27 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 115324081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).