N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine

C13H22N6O2 — CID 80901669

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCCN1CCC(CNc2nc(NN)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H22N6O2/c1-2-18-7-5-10(6-8-18)9-15-13-11(19(20)21)3-4-12(16-13)17-14/h3-4,10H,2,5-9,14H2,1H3,(H2,15,16,17)
InChIKeyROGAKLGDWFNQRJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.42
Rot. Bonds6

About N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine

N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 80901669) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID80901669
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCCN1CCC(CNc2nc(NN)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H22N6O2/c1-2-18-7-5-10(6-8-18)9-15-13-11(19(20)21)3-4-12(16-13)17-14/h3-4,10H,2,5-9,14H2,1H3,(H2,15,16,17)
InChIKeyROGAKLGDWFNQRJ-UHFFFAOYSA-N
XLogP1.42
TPSA109.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

6-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80790831
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 81139026
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 81046261
2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 80915820
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83266650
1-cyclopropyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanol
CID 80913877
N-[(1-ethylpiperidin-4-yl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80902144
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 106138108
6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-3-nitropyridin-2-amine
CID 80906290

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine (CID 80901669) is N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine is CCN1CCC(CNc2nc(NN)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is ROGAKLGDWFNQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-2-18-7-5-10(6-8-18)9-15-13-11(19(20)21)3-4-12(16-13)17-14/h3-4,10H,2,5-9,14H2,1H3,(H2,15,16,17).
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine has a molecular weight of 294.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 80901669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).