N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C19H22N4O5 — CID 134021384

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C19H22N4O5/c24-18(14-22-13-17(23(26)27)5-6-19(22)25)20-11-15-3-1-2-4-16(15)12-21-7-9-28-10-8-21/h1-6,13H,7-12,14H2,(H,20,24)
InChIKeyBUKPHGOMJYQKSK-UHFFFAOYSA-N
MW386.41 g/mol
LogP0.91
Rot. Bonds7

About N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 134021384) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID134021384
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C19H22N4O5/c24-18(14-22-13-17(23(26)27)5-6-19(22)25)20-11-15-3-1-2-4-16(15)12-21-7-9-28-10-8-21/h1-6,13H,7-12,14H2,(H,20,24)
InChIKeyBUKPHGOMJYQKSK-UHFFFAOYSA-N
XLogP0.91
TPSA106.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)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

2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea
CID 24626912
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503666
N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890319
2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969055
2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 9481549
2-(dimethylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 31787443
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride
CID 53351842
N-(2-ethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890330
4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide
CID 78810384
1-ethyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-nitrophenyl)methyl]guanidine
CID 111375683
2,2-dimethyl-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]propanamide
CID 31444039

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 134021384) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is BUKPHGOMJYQKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c24-18(14-22-13-17(23(26)27)5-6-19(22)25)20-11-15-3-1-2-4-16(15)12-21-7-9-28-10-8-21/h1-6,13H,7-12,14H2,(H,20,24).
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 386.41 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 134021384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).