2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile

C15H14N4O2 — CID 60704178

IUPAC2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile
SMILESCc1ccccc1C(C)Nc1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C15H14N4O2/c1-10-5-3-4-6-14(10)11(2)18-15-12(8-16)7-13(9-17-15)19(20)21/h3-7,9,11H,1-2H3,(H,17,18)
InChIKeyWYVBGZLAVFQRCP-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.34
Rot. Bonds4

About 2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile

2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile (PubChem CID 60704178) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile
PubChem CID60704178
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile
SMILESCc1ccccc1C(C)Nc1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C15H14N4O2/c1-10-5-3-4-6-14(10)11(2)18-15-12(8-16)7-13(9-17-15)19(20)21/h3-7,9,11H,1-2H3,(H,17,18)
InChIKeyWYVBGZLAVFQRCP-UHFFFAOYSA-N
XLogP3.34
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.34
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

5-nitro-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 63611914
5-nitro-2-(pentan-3-ylamino)pyridine-3-carbonitrile
CID 60678708
3,5-dinitro-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 91983831
2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 113240568
2-[4-(dimethylamino)butan-2-ylamino]-5-nitropyridine-3-carbonitrile
CID 55037209
2-methoxy-N-[1-(2-methylphenyl)ethyl]-5-nitroaniline
CID 43717785
2-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43178628
2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile
CID 63732552
2-[(3-methyl-2-propan-2-ylbutyl)amino]-5-nitropyridine-3-carbonitrile
CID 102913997
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile
CID 62099704
3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 62477233
5-nitro-2-[[(1R)-1-phenylethyl]amino]benzonitrile
CID 7922994

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile?
The IUPAC name of 2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile (CID 60704178) is 2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile is Cc1ccccc1C(C)Nc1ncc([N+](=O)[O-])cc1C#N.
What is the InChIKey of 2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile?
The InChIKey is WYVBGZLAVFQRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-5-3-4-6-14(10)11(2)18-15-12(8-16)7-13(9-17-15)19(20)21/h3-7,9,11H,1-2H3,(H,17,18).
What are the key properties of 2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile?
2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)ethylamino]-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 60704178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).