4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine

C13H20N4O3 — CID 79173434

IUPAC4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
SMILESCc1cc(NCCCN2CCOCC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-11-9-13(15-10-12(11)17(18)19)14-3-2-4-16-5-7-20-8-6-16/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyJPEAQUIEOUIYJJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.43
Rot. Bonds6

About 4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine

4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine (PubChem CID 79173434) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
PubChem CID79173434
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
SMILESCc1cc(NCCCN2CCOCC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-11-9-13(15-10-12(11)17(18)19)14-3-2-4-16-5-7-20-8-6-16/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyJPEAQUIEOUIYJJ-UHFFFAOYSA-N
XLogP1.43
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine 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

3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 115669026
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine
CID 79173443
N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine
CID 79173030
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132
5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 107302588
N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 79176524
1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine
CID 103079679
5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 83268380
3-bromo-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-4-amine
CID 84592604
5-bromo-4-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 113340018
N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133340478
6-(3-morpholin-4-ylpropylamino)-3-nitropyridine-2-carbonitrile
CID 103471217

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine (CID 79173434) is 4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine is Cc1cc(NCCCN2CCOCC2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine?
The InChIKey is JPEAQUIEOUIYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-11-9-13(15-10-12(11)17(18)19)14-3-2-4-16-5-7-20-8-6-16/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine?
4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 79173434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).