2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile

C14H12N4O2 — CID 114769705

IUPAC2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C14H12N4O2/c1-10-6-12(8-15)7-14(17-10)16-9-11-2-4-13(5-3-11)18(19)20/h2-7H,9H2,1H3,(H,16,17)
InChIKeyWLORTLYWCKUORQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.78
Rot. Bonds4

About 2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile

2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile (PubChem CID 114769705) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile
PubChem CID114769705
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C14H12N4O2/c1-10-6-12(8-15)7-14(17-10)16-9-11-2-4-13(5-3-11)18(19)20/h2-7H,9H2,1H3,(H,16,17)
InChIKeyWLORTLYWCKUORQ-UHFFFAOYSA-N
XLogP2.78
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.78
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

2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 114765767
2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile
CID 114769974
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 83072628
4-[(4-nitrophenyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974146
4-[3-methyl-5-[(4-nitrophenyl)methylamino]-1,2,4-triazol-1-yl]benzonitrile
CID 75478777
4-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 80822833
5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 103934170
4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80821850
2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 83074582
3-methyl-N-[(4-nitrophenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 75498185
2-[(4-cyanophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60964527

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile (CID 114769705) is 2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile is Cc1cc(C#N)cc(NCc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile?
The InChIKey is WLORTLYWCKUORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-10-6-12(8-15)7-14(17-10)16-9-11-2-4-13(5-3-11)18(19)20/h2-7H,9H2,1H3,(H,16,17).
What are the key properties of 2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile?
2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile has a molecular weight of 268.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 114769705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).