2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

C17H23N5O5 — CID 55402937

IUPAC2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCOC(CNC(=O)Cn2cc([N+](=O)[O-])cc(C#N)c2=O)C1
InChIInChI=1S/C17H23N5O5/c1-12(2)8-20-3-4-27-15(10-20)7-19-16(23)11-21-9-14(22(25)26)5-13(6-18)17(21)24/h5,9,12,15H,3-4,7-8,10-11H2,1-2H3,(H,19,23)
InChIKeyXRDNQCNEDLFCDA-UHFFFAOYSA-N
MW377.40 g/mol
LogP0.10
Rot. Bonds7

About 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (PubChem CID 55402937) has the molecular formula C17H23N5O5 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
PubChem CID55402937
Molecular FormulaC17H23N5O5
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC Name2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCOC(CNC(=O)Cn2cc([N+](=O)[O-])cc(C#N)c2=O)C1
InChIInChI=1S/C17H23N5O5/c1-12(2)8-20-3-4-27-15(10-20)7-19-16(23)11-21-9-14(22(25)26)5-13(6-18)17(21)24/h5,9,12,15H,3-4,7-8,10-11H2,1-2H3,(H,19,23)
InChIKeyXRDNQCNEDLFCDA-UHFFFAOYSA-N
XLogP0.10
TPSA130.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide 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

1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 55546364
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-nitrobenzamide
CID 42887586
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide
CID 8632311
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 8632452
2-(4-cyanophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51214759
3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039
1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 78838978
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8632535
4-(3,4-dimethylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxobutanamide
CID 30538416
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51216467
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 39485748

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (CID 55402937) is 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is CC(C)CN1CCOC(CNC(=O)Cn2cc([N+](=O)[O-])cc(C#N)c2=O)C1.
What is the InChIKey of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The InChIKey is XRDNQCNEDLFCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O5/c1-12(2)8-20-3-4-27-15(10-20)7-19-16(23)11-21-9-14(22(25)26)5-13(6-18)17(21)24/h5,9,12,15H,3-4,7-8,10-11H2,1-2H3,(H,19,23).
What are the key properties of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide has a molecular weight of 377.40 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 55402937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).