N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide

C10H14N4O3 — CID 54950233

IUPACN,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide
SMILESCC(Nc1ccncc1[N+](=O)[O-])C(=O)N(C)C
InChIInChI=1S/C10H14N4O3/c1-7(10(15)13(2)3)12-8-4-5-11-6-9(8)14(16)17/h4-7H,1-3H3,(H,11,12)
InChIKeyXIKCGWNLMAQTKV-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.88
Rot. Bonds4

About N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide

N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide (PubChem CID 54950233) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide
PubChem CID54950233
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide
SMILESCC(Nc1ccncc1[N+](=O)[O-])C(=O)N(C)C
InChIInChI=1S/C10H14N4O3/c1-7(10(15)13(2)3)12-8-4-5-11-6-9(8)14(16)17/h4-7H,1-3H3,(H,11,12)
InChIKeyXIKCGWNLMAQTKV-UHFFFAOYSA-N
XLogP0.88
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
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,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide?
The IUPAC name of N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide (CID 54950233) is N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide is CC(Nc1ccncc1[N+](=O)[O-])C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide?
The InChIKey is XIKCGWNLMAQTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-7(10(15)13(2)3)12-8-4-5-11-6-9(8)14(16)17/h4-7H,1-3H3,(H,11,12).
What are the key properties of N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide?
N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide has a molecular weight of 238.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide is sourced from PubChem (CID 54950233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).