N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline

C15H18N4O2 — CID 107350871

IUPACN-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline
SMILESCNc1c(CN(C)Cc2ccccn2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O2/c1-16-15-12(6-5-8-14(15)19(20)21)10-18(2)11-13-7-3-4-9-17-13/h3-9,16H,10-11H2,1-2H3
InChIKeyOMXGSAGEBAPZQA-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.66
Rot. Bonds6

About N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline

N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline (PubChem CID 107350871) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline.

Molecular Properties

Compound NameN-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline
PubChem CID107350871
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline
SMILESCNc1c(CN(C)Cc2ccccn2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O2/c1-16-15-12(6-5-8-14(15)19(20)21)10-18(2)11-13-7-3-4-9-17-13/h3-9,16H,10-11H2,1-2H3
InChIKeyOMXGSAGEBAPZQA-UHFFFAOYSA-N
XLogP2.66
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.66
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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Related Compounds

N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-6-nitroaniline
CID 107351043
N-methyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-nitroaniline
CID 107351141
N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-6-nitroaniline
CID 107351297
2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline
CID 107350713
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107352881
2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline
CID 107351465
N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-6-nitroaniline
CID 107350917
1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 107353044
N,2-dimethyl-N-[[2-(methylamino)-3-nitrophenyl]methyl]oxolan-3-amine
CID 107351494
2-(1,3-dihydroisoindol-2-ylmethyl)-N-methyl-6-nitroaniline
CID 107351228

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline?
The IUPAC name of N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline (CID 107350871) is N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline.
What is the SMILES notation for N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline?
The canonical SMILES for N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline is CNc1c(CN(C)Cc2ccccn2)cccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline?
The InChIKey is OMXGSAGEBAPZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-16-15-12(6-5-8-14(15)19(20)21)10-18(2)11-13-7-3-4-9-17-13/h3-9,16H,10-11H2,1-2H3.
What are the key properties of N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline?
N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline has a molecular weight of 286.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline is sourced from PubChem (CID 107350871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).