3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine

C12H12N4O2 — CID 2804767

IUPAC3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCCc1ccncc1
InChIInChI=1S/C12H12N4O2/c17-16(18)11-2-1-6-14-12(11)15-9-5-10-3-7-13-8-4-10/h1-4,6-8H,5,9H2,(H,14,15)
InChIKeyVDTKDRPPWBMKFD-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.04
Rot. Bonds5

About 3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine

3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine (PubChem CID 2804767) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine
PubChem CID2804767
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCCc1ccncc1
InChIInChI=1S/C12H12N4O2/c17-16(18)11-2-1-6-14-12(11)15-9-5-10-3-7-13-8-4-10/h1-4,6-8H,5,9H2,(H,14,15)
InChIKeyVDTKDRPPWBMKFD-UHFFFAOYSA-N
XLogP2.04
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
The IUPAC name of 3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine (CID 2804767) is 3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine is O=[N+]([O-])c1cccnc1NCCc1ccncc1.
What is the InChIKey of 3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
The InChIKey is VDTKDRPPWBMKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c17-16(18)11-2-1-6-14-12(11)15-9-5-10-3-7-13-8-4-10/h1-4,6-8H,5,9H2,(H,14,15).
What are the key properties of 3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine has a molecular weight of 244.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(2-pyridin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 2804767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).