1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one

C12H16N4O4 — CID 115577529

IUPAC1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one
SMILESO=C(CCNc1ncccc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C12H16N4O4/c17-11(15-6-8-20-9-7-15)3-5-14-12-10(16(18)19)2-1-4-13-12/h1-2,4H,3,5-9H2,(H,13,14)
InChIKeyMZMDMZDGXZDAAG-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.65
Rot. Bonds5

About 1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one

1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one (PubChem CID 115577529) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one
PubChem CID115577529
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one
SMILESO=C(CCNc1ncccc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C12H16N4O4/c17-11(15-6-8-20-9-7-15)3-5-14-12-10(16(18)19)2-1-4-13-12/h1-2,4H,3,5-9H2,(H,13,14)
InChIKeyMZMDMZDGXZDAAG-UHFFFAOYSA-N
XLogP0.65
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.65
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

2-[(3-morpholin-4-yl-3-oxopropyl)amino]pyridine-3-carboxamide
CID 115578372
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103080086
morpholin-4-yl-[3-[[(3-nitro-2-pyridinyl)amino]methyl]phenyl]methanone
CID 47078580
2-[(3-nitro-2-pyridinyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 133277273
3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 115669026
3-(3-amino-4-nitroanilino)-1-morpholin-4-ylpropan-1-one
CID 106749558
3-[(3-bromo-5-nitro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 103877898
3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 62350491
1-morpholin-4-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 112695183
1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one
CID 115585976
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
CID 71299310
3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine
CID 11361048

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one (CID 115577529) is 1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one is O=C(CCNc1ncccc1[N+](=O)[O-])N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one?
The InChIKey is MZMDMZDGXZDAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c17-11(15-6-8-20-9-7-15)3-5-14-12-10(16(18)19)2-1-4-13-12/h1-2,4H,3,5-9H2,(H,13,14).
What are the key properties of 1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one?
1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one has a molecular weight of 280.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one is sourced from PubChem (CID 115577529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).