1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide

C17H25N5O6 — CID 55546364

IUPAC1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1
InChIInChI=1S/C17H25N5O6/c1-11(2)7-20-3-4-28-13(9-20)6-19-15(23)10-21-8-12(22(26)27)5-14(16(18)24)17(21)25/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3,(H2,18,24)(H,19,23)
InChIKeyNRDGEAZFQXGCPE-UHFFFAOYSA-N
MW395.42 g/mol
LogP-0.67
Rot. Bonds8

About 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide

1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide (PubChem CID 55546364) has the molecular formula C17H25N5O6 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
PubChem CID55546364
Molecular FormulaC17H25N5O6
Molecular Weight395.42 g/mol
Exact Mass395.18
IUPAC Name1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1
InChIInChI=1S/C17H25N5O6/c1-11(2)7-20-3-4-28-13(9-20)6-19-15(23)10-21-8-12(22(26)27)5-14(16(18)24)17(21)25/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3,(H2,18,24)(H,19,23)
InChIKeyNRDGEAZFQXGCPE-UHFFFAOYSA-N
XLogP-0.67
TPSA149.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
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 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55402937
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-nitrobenzamide
CID 42887586
5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide
CID 55531473
(3S)-2-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55934493
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 39485748
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 75466609
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119903899
ethyl 5-methyl-3-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 55400959
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55547591
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55402241
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921662
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide (CID 55546364) is 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide is CC(C)CN1CCOC(CNC(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1.
What is the InChIKey of 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide?
The InChIKey is NRDGEAZFQXGCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O6/c1-11(2)7-20-3-4-28-13(9-20)6-19-15(23)10-21-8-12(22(26)27)5-14(16(18)24)17(21)25/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3,(H2,18,24)(H,19,23).
What are the key properties of 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide?
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of -0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 55546364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).