4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine

C12H12N4O2 — CID 79173432

IUPAC4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCc1cc(NCc2ccccn2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O2/c1-9-6-12(15-8-11(9)16(17)18)14-7-10-4-2-3-5-13-10/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyCKSIFJLZXQWSPY-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.31
Rot. Bonds4

About 4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine

4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine (PubChem CID 79173432) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
PubChem CID79173432
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCc1cc(NCc2ccccn2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O2/c1-9-6-12(15-8-11(9)16(17)18)14-7-10-4-2-3-5-13-10/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyCKSIFJLZXQWSPY-UHFFFAOYSA-N
XLogP2.31
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.31
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

N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 82739931
6-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 80718363
2-bromo-4-methyl-5-nitro-N-(pyridin-2-ylmethyl)aniline
CID 104815004
N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79173429
4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine
CID 103952381
[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232424
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 79176407
4-methyl-N-[(5-methylthiophen-2-yl)methyl]-5-nitropyridin-2-amine
CID 79176589
4-methyl-N-[3-(2-methylphenoxy)propyl]-5-nitropyridin-2-amine
CID 133329317
4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine
CID 133329195
N-[[2-(aminomethyl)phenyl]methyl]-5-methyl-4-nitropyridin-2-amine
CID 83271433
4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine
CID 133422618

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine (CID 79173432) is 4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine is Cc1cc(NCc2ccccn2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The InChIKey is CKSIFJLZXQWSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-9-6-12(15-8-11(9)16(17)18)14-7-10-4-2-3-5-13-10/h2-6,8H,7H2,1H3,(H,14,15).
What are the key properties of 4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine?
4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine has a molecular weight of 244.25 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 79173432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).