4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile

C15H14N4O2 — CID 60965855

IUPAC4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C15H14N4O2/c1-10-7-11(2)18-15(13(10)8-16)17-9-12-5-3-4-6-14(12)19(20)21/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeySVPRWJZQKSIRNU-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.09
Rot. Bonds4

About 4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile

4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile (PubChem CID 60965855) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile
PubChem CID60965855
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C15H14N4O2/c1-10-7-11(2)18-15(13(10)8-16)17-9-12-5-3-4-6-14(12)19(20)21/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeySVPRWJZQKSIRNU-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 24903305
4-bromo-2,6-dimethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28596634
2-chloro-4-[(2-nitrophenyl)methylamino]benzonitrile
CID 43347941
1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60664546
2-methyl-N-[(2-nitrophenyl)methyl]pyrimidin-4-amine
CID 55112765
2,5-dichloro-4-methyl-N-[(2-nitrophenyl)methyl]aniline
CID 104725978
3,6-dichloro-N-[(2-nitrophenyl)methyl]-1,2,4-triazin-5-amine
CID 114156678
4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine
CID 63329672
3-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]benzonitrile
CID 81138714
4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 55026390
3-chloro-2-[(2-nitrophenyl)methylamino]benzonitrile
CID 133317807
2-[(5-chloro-2-nitrophenyl)methylamino]-6-methylbenzonitrile
CID 107804629

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile (CID 60965855) is 4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is SVPRWJZQKSIRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-7-11(2)18-15(13(10)8-16)17-9-12-5-3-4-6-14(12)19(20)21/h3-7H,9H2,1-2H3,(H,17,18).
What are the key properties of 4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile?
4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(2-nitrophenyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 60965855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).