4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide

C11H14N4O4 — CID 133452657

IUPAC4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide
SMILESCc1nc(N2CCOCC2C(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4/c1-7-8(15(17)18)2-3-10(13-7)14-4-5-19-6-9(14)11(12)16/h2-3,9H,4-6H2,1H3,(H2,12,16)
InChIKeyZXCZNWWQZBAYMH-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.01
Rot. Bonds3

About 4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide

4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide (PubChem CID 133452657) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide
PubChem CID133452657
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide
SMILESCc1nc(N2CCOCC2C(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4/c1-7-8(15(17)18)2-3-10(13-7)14-4-5-19-6-9(14)11(12)16/h2-3,9H,4-6H2,1H3,(H2,12,16)
InChIKeyZXCZNWWQZBAYMH-UHFFFAOYSA-N
XLogP-0.01
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.01
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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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide?
The IUPAC name of 4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide (CID 133452657) is 4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide is Cc1nc(N2CCOCC2C(N)=O)ccc1[N+](=O)[O-].
What is the InChIKey of 4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide?
The InChIKey is ZXCZNWWQZBAYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-7-8(15(17)18)2-3-10(13-7)14-4-5-19-6-9(14)11(12)16/h2-3,9H,4-6H2,1H3,(H2,12,16).
What are the key properties of 4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide?
4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide has a molecular weight of 266.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide is sourced from PubChem (CID 133452657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).