6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile

C15H14N4O2 — CID 122146778

IUPAC6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C(C)Nc2ccc(C#N)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O2/c1-10-3-5-13(7-14(10)19(20)21)11(2)18-15-6-4-12(8-16)9-17-15/h3-7,9,11H,1-2H3,(H,17,18)
InChIKeyUGBGCUSQYRMUTM-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.34
Rot. Bonds4

About 6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile

6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile (PubChem CID 122146778) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile
PubChem CID122146778
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C(C)Nc2ccc(C#N)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O2/c1-10-3-5-13(7-14(10)19(20)21)11(2)18-15-6-4-12(8-16)9-17-15/h3-7,9,11H,1-2H3,(H,17,18)
InChIKeyUGBGCUSQYRMUTM-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

6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile
CID 133333165
2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetonitrile
CID 84598222
N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 7230667
2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]pyrimidine-5-carbonitrile
CID 141139624
6-[1-(4-methylphenyl)ethylamino]-3-nitropyridine-2-carbonitrile
CID 103471487
2,6-dichloro-N-[1-(4-methyl-3-nitrophenyl)ethyl]aniline
CID 65469894
3,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-1H-pyrazol-4-amine
CID 43547160
N-methoxy-1-(4-methyl-3-nitrophenyl)ethanamine
CID 82706496
6-chloro-2-cyclopropyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]pyrimidin-4-amine
CID 133418717
6-[1-(3-fluorophenyl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103471472
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 30640632

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile (CID 122146778) is 6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile is Cc1ccc(C(C)Nc2ccc(C#N)cn2)cc1[N+](=O)[O-].
What is the InChIKey of 6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is UGBGCUSQYRMUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-3-5-13(7-14(10)19(20)21)11(2)18-15-6-4-12(8-16)9-17-15/h3-7,9,11H,1-2H3,(H,17,18).
What are the key properties of 6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile?
6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-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 6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 122146778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).