6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine

C11H13N5O2 — CID 81138648

IUPAC6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCc2nccn2C)n1
InChIInChI=1S/C11H13N5O2/c1-8-3-4-9(16(17)18)11(14-8)13-7-10-12-5-6-15(10)2/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyRGWJBTMVEQQLJW-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.64
Rot. Bonds4

About 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine

6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine (PubChem CID 81138648) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
PubChem CID81138648
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCc2nccn2C)n1
InChIInChI=1S/C11H13N5O2/c1-8-3-4-9(16(17)18)11(14-8)13-7-10-12-5-6-15(10)2/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyRGWJBTMVEQQLJW-UHFFFAOYSA-N
XLogP1.64
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(1-methylimidazol-2-yl)methylamino]-2-nitrobenzonitrile
CID 115500327
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 81136342
N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138480
2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 114045033
6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine
CID 114700820
6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 115714662
6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 81137942
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
N-[(1-methylimidazol-2-yl)methyl]-4-methylsulfonyl-2-nitroaniline
CID 63239117
N-[(1-methylimidazol-2-yl)methyl]-4-nitro-3-propan-2-yloxyaniline
CID 83006147
6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine
CID 81138577
4-N-[(1-methylimidazol-2-yl)methyl]-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80814642

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine (CID 81138648) is 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NCc2nccn2C)n1.
What is the InChIKey of 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine?
The InChIKey is RGWJBTMVEQQLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8-3-4-9(16(17)18)11(14-8)13-7-10-12-5-6-15(10)2/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine?
6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine has a molecular weight of 247.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 81138648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).