2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine

C17H19N3O3 — CID 133379685

IUPAC2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine
SMILESCc1cc(N2CCOC(C)(c3ccccc3)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O3/c1-13-10-16(18-11-15(13)20(21)22)19-8-9-23-17(2,12-19)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyWVAZFQFHOQJNTR-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.05
Rot. Bonds3

About 2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine

2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine (PubChem CID 133379685) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine.

Molecular Properties

Compound Name2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine
PubChem CID133379685
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine
SMILESCc1cc(N2CCOC(C)(c3ccccc3)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O3/c1-13-10-16(18-11-15(13)20(21)22)19-8-9-23-17(2,12-19)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyWVAZFQFHOQJNTR-UHFFFAOYSA-N
XLogP3.05
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4-methyl-5-nitro-2-pyridinyl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479080
2-methyl-4-(2-methyl-6-nitrophenyl)-2-phenylmorpholine
CID 133379665
2-(3,3-dimethylpiperidin-1-yl)-4-methyl-5-nitropyridine
CID 133339436
1-[4-(2-methyl-2-phenylmorpholin-4-yl)-3-nitrophenyl]ethanone
CID 133379432
2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133379583
5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile
CID 133491418
6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile
CID 133379476
[4-(2-methyl-2-phenylmorpholin-4-yl)-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133379436
2-(furan-2-yl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
CID 133347026
4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine
CID 133379561
2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
CID 133420103
2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
CID 133343722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine?
The IUPAC name of 2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine (CID 133379685) is 2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine.
What is the SMILES notation for 2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine?
The canonical SMILES for 2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine is Cc1cc(N2CCOC(C)(c3ccccc3)C2)ncc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine?
The InChIKey is WVAZFQFHOQJNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-13-10-16(18-11-15(13)20(21)22)19-8-9-23-17(2,12-19)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine?
2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine has a molecular weight of 313.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine is sourced from PubChem (CID 133379685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).