N,N-dibenzyl-3-nitropyridin-4-amine

C19H17N3O2 — CID 69170535

IUPACN,N-dibenzyl-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H17N3O2/c23-22(24)19-13-20-12-11-18(19)21(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChIKeyTYBWNPHRZBTGPH-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.20
Rot. Bonds6

About N,N-dibenzyl-3-nitropyridin-4-amine

N,N-dibenzyl-3-nitropyridin-4-amine (PubChem CID 69170535) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N,N-dibenzyl-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN,N-dibenzyl-3-nitropyridin-4-amine
PubChem CID69170535
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN,N-dibenzyl-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H17N3O2/c23-22(24)19-13-20-12-11-18(19)21(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChIKeyTYBWNPHRZBTGPH-UHFFFAOYSA-N
XLogP4.20
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol
CID 62115116
4-(dibenzylamino)pyridine-3-carboxylic acid
CID 130163001
2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol
CID 61234932
N,N-dimethyl-3-nitropyridin-4-amine
CID 3760629
1-[benzyl-(8-nitroisoquinolin-5-yl)amino]-2-methylpropan-2-ol
CID 133435518
2-[2-methylpropyl-(3-nitro-4-pyridinyl)amino]acetic acid
CID 63064145
6-(dibenzylamino)-5-nitropyridine-2-carboxylic acid
CID 67420399
2-[cyclopropylmethyl-(3-nitro-4-pyridinyl)amino]acetic acid
CID 43656324
N-benzyl-3-nitro-N-propylpyridin-2-amine
CID 133383842
2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 28848522
2-nitro-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)aniline
CID 71845616
N,N-dibenzyl-3,5-dinitroaniline
CID 7237184

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-nitropyridin-4-amine?
The IUPAC name of N,N-dibenzyl-3-nitropyridin-4-amine (CID 69170535) is N,N-dibenzyl-3-nitropyridin-4-amine.
What is the SMILES notation for N,N-dibenzyl-3-nitropyridin-4-amine?
The canonical SMILES for N,N-dibenzyl-3-nitropyridin-4-amine is O=[N+]([O-])c1cnccc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-nitropyridin-4-amine?
The InChIKey is TYBWNPHRZBTGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-22(24)19-13-20-12-11-18(19)21(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2.
What are the key properties of N,N-dibenzyl-3-nitropyridin-4-amine?
N,N-dibenzyl-3-nitropyridin-4-amine has a molecular weight of 319.36 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-nitropyridin-4-amine is sourced from PubChem (CID 69170535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).