N,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine

C26H21N7O2 — CID 146310760

IUPACN,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine
SMILESO=[N+]([O-])c1cc(-c2ccccc2-c2nn[nH]n2)nc(N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C26H21N7O2/c34-33(35)21-15-24(22-13-7-8-14-23(22)26-28-30-31-29-26)27-25(16-21)32(17-19-9-3-1-4-10-19)18-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,28,29,30,31)
InChIKeyUEJHSWIVUSRYNG-UHFFFAOYSA-N
MW463.50 g/mol
LogP5.04
Rot. Bonds8

About N,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine

N,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine (PubChem CID 146310760) has the molecular formula C26H21N7O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is N,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine
PubChem CID146310760
Molecular FormulaC26H21N7O2
Molecular Weight463.50 g/mol
Exact Mass463.18
IUPAC NameN,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine
SMILESO=[N+]([O-])c1cc(-c2ccccc2-c2nn[nH]n2)nc(N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C26H21N7O2/c34-33(35)21-15-24(22-13-7-8-14-23(22)26-28-30-31-29-26)27-25(16-21)32(17-19-9-3-1-4-10-19)18-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,28,29,30,31)
InChIKeyUEJHSWIVUSRYNG-UHFFFAOYSA-N
XLogP5.04
TPSA113.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]amino]benzonitrile
CID 162468448
N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylphenyl)acetamide
CID 146310815
N,N-dibenzyl-3,5-dinitroaniline
CID 7237184
N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(4-methylsulfonylphenyl)acetamide
CID 162468454
1-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-3-(6-methyl-3-pyridinyl)urea
CID 162468395
N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(3,4-difluorophenyl)acetamide
CID 162468411
4-[[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]amino]-3-fluorobenzoic acid
CID 162468399
1-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-3-(2,4-dichlorophenyl)urea
CID 162468387
1-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 162468420
N-[2-[benzyl(propyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-morpholin-4-ylacetamide
CID 162468447
5-[[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]amino]-2-methoxybenzamide
CID 162468434
2-N-benzyl-4-N-(2-fluoro-4-methoxyphenyl)-2-N-(2-methylpropyl)-6-[2-(2H-tetrazol-5-yl)phenyl]pyridine-2,4-diamine
CID 162468435

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine?
The IUPAC name of N,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine (CID 146310760) is N,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for N,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine?
The canonical SMILES for N,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine is O=[N+]([O-])c1cc(-c2ccccc2-c2nn[nH]n2)nc(N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of N,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine?
The InChIKey is UEJHSWIVUSRYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O2/c34-33(35)21-15-24(22-13-7-8-14-23(22)26-28-30-31-29-26)27-25(16-21)32(17-19-9-3-1-4-10-19)18-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,28,29,30,31).
What are the key properties of N,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine?
N,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine has a molecular weight of 463.50 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-nitro-6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 146310760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).