3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one

C13H18N4O4 — CID 115669026

IUPAC3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(NCCC(=O)N2CCOCC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H18N4O4/c1-10-8-12(15-9-11(10)17(19)20)14-3-2-13(18)16-4-6-21-7-5-16/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyAMDZLYQNWYUONV-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.96
Rot. Bonds5

About 3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one

3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115669026) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID115669026
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(NCCC(=O)N2CCOCC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H18N4O4/c1-10-8-12(15-9-11(10)17(19)20)14-3-2-13(18)16-4-6-21-7-5-16/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyAMDZLYQNWYUONV-UHFFFAOYSA-N
XLogP0.96
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.96
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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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]propan-1-one
CID 133329825
4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79173434
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103080086
3-[(3-bromo-5-nitro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 103877898
1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one
CID 115577529
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132
4-[(4-methyl-5-nitro-2-pyridinyl)amino]oxane-4-carboxylic acid
CID 115292058
3-(3-amino-4-nitroanilino)-1-morpholin-4-ylpropan-1-one
CID 106749558
3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112692551
3-methoxy-1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]propan-1-one
CID 133376904
5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 107302588
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine
CID 79173443

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one (CID 115669026) is 3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one is Cc1cc(NCCC(=O)N2CCOCC2)ncc1[N+](=O)[O-].
What is the InChIKey of 3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is AMDZLYQNWYUONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-10-8-12(15-9-11(10)17(19)20)14-3-2-13(18)16-4-6-21-7-5-16/h8-9H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 294.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115669026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).