N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine

C13H14N4O2 — CID 2848814

IUPACN-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
SMILESCN(CCc1ccccn1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H14N4O2/c1-16(9-7-11-4-2-3-8-14-11)13-6-5-12(10-15-13)17(18)19/h2-6,8,10H,7,9H2,1H3
InChIKeyYOFCTPKITVHUQL-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.06
Rot. Bonds5

About N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine

N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine (PubChem CID 2848814) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
PubChem CID2848814
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
SMILESCN(CCc1ccccn1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H14N4O2/c1-16(9-7-11-4-2-3-8-14-11)13-6-5-12(10-15-13)17(18)19/h2-6,8,10H,7,9H2,1H3
InChIKeyYOFCTPKITVHUQL-UHFFFAOYSA-N
XLogP2.06
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
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 N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine (CID 2848814) is N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine is CN(CCc1ccccn1)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine?
The InChIKey is YOFCTPKITVHUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-16(9-7-11-4-2-3-8-14-11)13-6-5-12(10-15-13)17(18)19/h2-6,8,10H,7,9H2,1H3.
What are the key properties of N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine?
N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine has a molecular weight of 258.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine is sourced from PubChem (CID 2848814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).