(3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene

C17H19N5O2 — CID 170921733

IUPAC(3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene
SMILESCc1cc(C/N=N/c2ccc([N+](=O)[O-])cn2)ccc1N1CCCC1
InChIInChI=1S/C17H19N5O2/c1-13-10-14(4-6-16(13)21-8-2-3-9-21)11-19-20-17-7-5-15(12-18-17)22(23)24/h4-7,10,12H,2-3,8-9,11H2,1H3/b20-19+
InChIKeyJKPPZPWKCXIYOU-FMQUCBEESA-N
MW325.37 g/mol
LogP4.18
Rot. Bonds5

About (3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene

(3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene (PubChem CID 170921733) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene.

Molecular Properties

Compound Name(3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene
PubChem CID170921733
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene
SMILESCc1cc(C/N=N/c2ccc([N+](=O)[O-])cn2)ccc1N1CCCC1
InChIInChI=1S/C17H19N5O2/c1-13-10-14(4-6-16(13)21-8-2-3-9-21)11-19-20-17-7-5-15(12-18-17)22(23)24/h4-7,10,12H,2-3,8-9,11H2,1H3/b20-19+
InChIKeyJKPPZPWKCXIYOU-FMQUCBEESA-N
XLogP4.18
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 3713602
[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene
CID 170922180
N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-nitroaniline
CID 43834592
[1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene
CID 170921731
1-[4-(chloromethyl)-2-methylphenyl]azocane
CID 63539921
2-[4-(2-methyl-4-nitrophenyl)-1,4-diazepan-1-yl]acetic acid
CID 62824502
2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 62120126
1-tert-butyl-4-(2-methyl-4-nitrophenyl)piperazine
CID 70571438
(5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene
CID 54157550
5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine
CID 133439624
1-(2,4-dinitrophenyl)azepane
CID 2731658
1-(2-chloro-5-nitrophenyl)pyrrolidine
CID 673948

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene?
The IUPAC name of (3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene (CID 170921733) is (3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene.
What is the SMILES notation for (3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene?
The canonical SMILES for (3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene is Cc1cc(C/N=N/c2ccc([N+](=O)[O-])cn2)ccc1N1CCCC1.
What is the InChIKey of (3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene?
The InChIKey is JKPPZPWKCXIYOU-FMQUCBEESA-N. The full InChI is InChI=1S/C17H19N5O2/c1-13-10-14(4-6-16(13)21-8-2-3-9-21)11-19-20-17-7-5-15(12-18-17)22(23)24/h4-7,10,12H,2-3,8-9,11H2,1H3/b20-19+.
What are the key properties of (3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene?
(3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene has a molecular weight of 325.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-pyrrolidin-1-ylphenyl)methyl-(5-nitro-2-pyridinyl)diazene is sourced from PubChem (CID 170921733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).