2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine

C14H23N5O2 — CID 107165493

IUPAC2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCC2(C)CCN(C)CC2)n1
InChIInChI=1S/C14H23N5O2/c1-14(6-8-18(3)9-7-14)10-16-13-11(19(20)21)4-5-12(15-2)17-13/h4-5H,6-10H2,1-3H3,(H2,15,16,17)
InChIKeyCIBHSCFYQVFYKZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.18
Rot. Bonds5

About 2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine

2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine (PubChem CID 107165493) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine
PubChem CID107165493
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(NCC2(C)CCN(C)CC2)n1
InChIInChI=1S/C14H23N5O2/c1-14(6-8-18(3)9-7-14)10-16-13-11(19(20)21)4-5-12(15-2)17-13/h4-5H,6-10H2,1-3H3,(H2,15,16,17)
InChIKeyCIBHSCFYQVFYKZ-UHFFFAOYSA-N
XLogP2.18
TPSA83.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine (CID 107165493) is 2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine is CNc1ccc([N+](=O)[O-])c(NCC2(C)CCN(C)CC2)n1.
What is the InChIKey of 2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine?
The InChIKey is CIBHSCFYQVFYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-14(6-8-18(3)9-7-14)10-16-13-11(19(20)21)4-5-12(15-2)17-13/h4-5H,6-10H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine?
2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine has a molecular weight of 293.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-N-methyl-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 107165493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).