N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide

C10H14N4O3 — CID 83268573

IUPACN-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide
SMILESCNC(=O)CCNc1cc([N+](=O)[O-])c(C)cn1
InChIInChI=1S/C10H14N4O3/c1-7-6-13-9(5-8(7)14(16)17)12-4-3-10(15)11-2/h5-6H,3-4H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyUXOAFEFOTUTDCQ-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.85
Rot. Bonds5

About N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide

N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide (PubChem CID 83268573) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide
PubChem CID83268573
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide
SMILESCNC(=O)CCNc1cc([N+](=O)[O-])c(C)cn1
InChIInChI=1S/C10H14N4O3/c1-7-6-13-9(5-8(7)14(16)17)12-4-3-10(15)11-2/h5-6H,3-4H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyUXOAFEFOTUTDCQ-UHFFFAOYSA-N
XLogP0.85
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.85
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'}

Analyze N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-(4-methyl-3-nitroanilino)propanamide
CID 55131710
4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842603
N-tert-butyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83268004
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83267356
5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 83267804
5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine
CID 107816181
2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid
CID 83269694
2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 83268563
5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 83267358
N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83269747
5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 83268380

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide?
The IUPAC name of N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide (CID 83268573) is N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide?
The canonical SMILES for N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide is CNC(=O)CCNc1cc([N+](=O)[O-])c(C)cn1.
What is the InChIKey of N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide?
The InChIKey is UXOAFEFOTUTDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-7-6-13-9(5-8(7)14(16)17)12-4-3-10(15)11-2/h5-6H,3-4H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide?
N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide has a molecular weight of 238.25 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 83268573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).