N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine

C11H16N4O3 — CID 104540927

IUPACN-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine
SMILESCN(CC1CNCCO1)c1cccnc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-14(8-9-7-12-5-6-18-9)10-3-2-4-13-11(10)15(16)17/h2-4,9,12H,5-8H2,1H3
InChIKeyTUPGVMMMOVJPCQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.41
Rot. Bonds4

About N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine

N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine (PubChem CID 104540927) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine
PubChem CID104540927
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine
SMILESCN(CC1CNCCO1)c1cccnc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-14(8-9-7-12-5-6-18-9)10-3-2-4-13-11(10)15(16)17/h2-4,9,12H,5-8H2,1H3
InChIKeyTUPGVMMMOVJPCQ-UHFFFAOYSA-N
XLogP0.41
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.41
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'}

Analyze N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-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

N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline
CID 115553948
5-chloro-N,2-dimethyl-N-(morpholin-2-ylmethyl)-4-nitroaniline
CID 115556156
5-bromo-4-fluoro-N-methyl-N-(morpholin-2-ylmethyl)-2-nitroaniline
CID 116739579
N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide
CID 103341176
3-[methyl(morpholin-2-ylmethyl)amino]-1H-pyrazin-2-one
CID 114571026
2-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-3-amine
CID 106643092
N-methyl-N-(2-morpholin-2-ylethyl)pyridin-2-amine
CID 115239171
1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 98013250
N,2-dimethyl-N-(morpholin-2-ylmethyl)-5-propan-2-ylaniline
CID 115237568
N-methyl-N-(morpholin-2-ylmethyl)quinazolin-2-amine
CID 114789529
N,6-dimethyl-N-(morpholin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 115237589
N-methyl-N-(morpholin-2-ylmethyl)-5-propan-2-ylpyrimidin-2-amine
CID 116978150

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine?
The IUPAC name of N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine (CID 104540927) is N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine.
What is the SMILES notation for N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine?
The canonical SMILES for N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine is CN(CC1CNCCO1)c1cccnc1[N+](=O)[O-].
What is the InChIKey of N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine?
The InChIKey is TUPGVMMMOVJPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-14(8-9-7-12-5-6-18-9)10-3-2-4-13-11(10)15(16)17/h2-4,9,12H,5-8H2,1H3.
What are the key properties of N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine?
N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine has a molecular weight of 252.27 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine is sourced from PubChem (CID 104540927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).