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

C12H12N4O2 — CID 83267359

IUPAC5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCc1cnc(NCc2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O2/c1-9-7-14-12(6-11(9)16(17)18)15-8-10-2-4-13-5-3-10/h2-7H,8H2,1H3,(H,14,15)
InChIKeyKGBUHIAIZAEVCD-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.31
Rot. Bonds4

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

5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine (PubChem CID 83267359) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
PubChem CID83267359
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCc1cnc(NCc2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O2/c1-9-7-14-12(6-11(9)16(17)18)15-8-10-2-4-13-5-3-10/h2-7H,8H2,1H3,(H,14,15)
InChIKeyKGBUHIAIZAEVCD-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

4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]phenol
CID 114332551
N-[(4-bromophenyl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83266878
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232424
N-[[2-(aminomethyl)phenyl]methyl]-5-methyl-4-nitropyridin-2-amine
CID 83271433
N-[(4-methyl-3-nitrophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 43222729
5-methyl-4-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 83267358
N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83267602
N-[(5-bromothiophen-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83268566
N-[(4-bromothiophen-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83268193
4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine
CID 133422618
2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83267356

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine (CID 83267359) is 5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine is Cc1cnc(NCc2ccncc2)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The InChIKey is KGBUHIAIZAEVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-9-7-14-12(6-11(9)16(17)18)15-8-10-2-4-13-5-3-10/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine?
5-methyl-4-nitro-N-(pyridin-4-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 5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 83267359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).