N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide

C9H12N4O3 — CID 62545034

IUPACN-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide
SMILESCNC(=O)C(C)Nc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C9H12N4O3/c1-6(9(14)10-2)12-7-3-4-8(11-5-7)13(15)16/h3-6,12H,1-2H3,(H,10,14)
InChIKeyOSELPFUCXOIFNA-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.54
Rot. Bonds4

About N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide

N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide (PubChem CID 62545034) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide
PubChem CID62545034
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide
SMILESCNC(=O)C(C)Nc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C9H12N4O3/c1-6(9(14)10-2)12-7-3-4-8(11-5-7)13(15)16/h3-6,12H,1-2H3,(H,10,14)
InChIKeyOSELPFUCXOIFNA-UHFFFAOYSA-N
XLogP0.54
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide?
The IUPAC name of N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide (CID 62545034) is N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide.
What is the SMILES notation for N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide?
The canonical SMILES for N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide is CNC(=O)C(C)Nc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide?
The InChIKey is OSELPFUCXOIFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-6(9(14)10-2)12-7-3-4-8(11-5-7)13(15)16/h3-6,12H,1-2H3,(H,10,14).
What are the key properties of N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide?
N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide has a molecular weight of 224.22 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide is sourced from PubChem (CID 62545034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).