2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide

C17H18N4O4 — CID 133274548

IUPAC2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide
SMILESCC1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC(c2ccccc2)O1
InChIInChI=1S/C17H18N4O4/c1-11-9-20(10-15(25-11)12-5-3-2-4-6-12)17-14(16(18)22)7-13(8-19-17)21(23)24/h2-8,11,15H,9-10H2,1H3,(H2,18,22)
InChIKeyPTKFAEUSTFMCCJ-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.06
Rot. Bonds4

About 2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide

2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide (PubChem CID 133274548) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide
PubChem CID133274548
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide
SMILESCC1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC(c2ccccc2)O1
InChIInChI=1S/C17H18N4O4/c1-11-9-20(10-15(25-11)12-5-3-2-4-6-12)17-14(16(18)22)7-13(8-19-17)21(23)24/h2-8,11,15H,9-10H2,1H3,(H2,18,22)
InChIKeyPTKFAEUSTFMCCJ-UHFFFAOYSA-N
XLogP2.06
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide (CID 133274548) is 2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide is CC1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC(c2ccccc2)O1.
What is the InChIKey of 2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide?
The InChIKey is PTKFAEUSTFMCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-11-9-20(10-15(25-11)12-5-3-2-4-6-12)17-14(16(18)22)7-13(8-19-17)21(23)24/h2-8,11,15H,9-10H2,1H3,(H2,18,22).
What are the key properties of 2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide?
2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-phenylmorpholin-4-yl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133274548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).