5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine

C21H19N3O2 — CID 67719635

IUPAC5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(Cc1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C21H19N3O2/c1-2-14-23(21-13-12-20(15-22-21)24(25)26)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h2-13,15H,1,14,16H2
InChIKeyWFLKEBUHPCWMNK-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.85
Rot. Bonds7

About 5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine

5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine (PubChem CID 67719635) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine
PubChem CID67719635
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(Cc1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C21H19N3O2/c1-2-14-23(21-13-12-20(15-22-21)24(25)26)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h2-13,15H,1,14,16H2
InChIKeyWFLKEBUHPCWMNK-UHFFFAOYSA-N
XLogP4.85
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

2-[(5-nitro-2-pyridinyl)-prop-2-enylamino]acetic acid
CID 79265032
2-methyl-3-[(5-nitro-2-pyridinyl)-prop-2-enylamino]propanoic acid
CID 82309780
N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511766
4-[[(5-nitro-2-pyridinyl)-propylamino]methyl]benzonitrile
CID 133384023
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
N-[(4-tert-butylphenyl)methyl]-N-methyl-5-nitropyridin-2-amine
CID 30639165
N-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092
3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid
CID 61009888
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
CID 57106093
3-[cyanomethyl-(5-nitro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82309964
6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde
CID 80636417
2-[cyclopropyl-(5-nitro-2-pyridinyl)amino]-1-phenylethanol
CID 75381956

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine?
The IUPAC name of 5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine (CID 67719635) is 5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine?
The canonical SMILES for 5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine is C=CCN(Cc1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine?
The InChIKey is WFLKEBUHPCWMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-14-23(21-13-12-20(15-22-21)24(25)26)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h2-13,15H,1,14,16H2.
What are the key properties of 5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine?
5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine has a molecular weight of 345.40 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine is sourced from PubChem (CID 67719635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).