3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline

C14H17N5O2 — CID 80899610

IUPAC3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline
SMILESCN(CCc1ccncc1)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C14H17N5O2/c1-18(10-7-11-5-8-16-9-6-11)13-4-2-3-12(17-15)14(13)19(20)21/h2-6,8-9,17H,7,10,15H2,1H3
InChIKeyHGOKRTBNDWAZFD-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.95
Rot. Bonds6

About 3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline

3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 80899610) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline
PubChem CID80899610
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline
SMILESCN(CCc1ccncc1)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C14H17N5O2/c1-18(10-7-11-5-8-16-9-6-11)13-4-2-3-12(17-15)14(13)19(20)21/h2-6,8-9,17H,7,10,15H2,1H3
InChIKeyHGOKRTBNDWAZFD-UHFFFAOYSA-N
XLogP1.95
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline
CID 80924180
3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline
CID 80895010
3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 80925776
3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide
CID 106918774
3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline
CID 80913076
3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline
CID 80899062
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80918855
N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80895882
2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80900074
N'-(3-chloro-2-nitrophenyl)-N'-methylpropane-1,3-diamine
CID 104839457
2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol
CID 80771729
2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 110454690

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline (CID 80899610) is 3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline is CN(CCc1ccncc1)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is HGOKRTBNDWAZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-18(10-7-11-5-8-16-9-6-11)13-4-2-3-12(17-15)14(13)19(20)21/h2-6,8-9,17H,7,10,15H2,1H3.
What are the key properties of 3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline?
3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 287.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 80899610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).