6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine

C13H19N5O2 — CID 80779221

IUPAC6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C13H19N5O2/c1-14-12-5-4-11(18(19)20)13(15-12)17-8-6-16(7-9-17)10-2-3-10/h4-5,10H,2-3,6-9H2,1H3,(H,14,15)
InChIKeyRUFRUDDCVBURQF-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.32
Rot. Bonds4

About 6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine

6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine (PubChem CID 80779221) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine
PubChem CID80779221
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C13H19N5O2/c1-14-12-5-4-11(18(19)20)13(15-12)17-8-6-16(7-9-17)10-2-3-10/h4-5,10H,2-3,6-9H2,1H3,(H,14,15)
InChIKeyRUFRUDDCVBURQF-UHFFFAOYSA-N
XLogP1.32
TPSA74.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.32
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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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine (CID 80779221) is 6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine is CNc1ccc([N+](=O)[O-])c(N2CCN(C3CC3)CC2)n1.
What is the InChIKey of 6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine?
The InChIKey is RUFRUDDCVBURQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-14-12-5-4-11(18(19)20)13(15-12)17-8-6-16(7-9-17)10-2-3-10/h4-5,10H,2-3,6-9H2,1H3,(H,14,15).
What are the key properties of 6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine?
6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine has a molecular weight of 277.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80779221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).