6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine

C10H14N4O3 — CID 114121084

IUPAC6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine
SMILESCOC1CC(Nc2cc([N+](=O)[O-])cc(N)n2)C1
InChIInChI=1S/C10H14N4O3/c1-17-8-2-6(3-8)12-10-5-7(14(15)16)4-9(11)13-10/h4-6,8H,2-3H2,1H3,(H3,11,12,13)
InChIKeyDYDSIOLQAVYVAL-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.16
Rot. Bonds4

About 6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine

6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine (PubChem CID 114121084) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine
PubChem CID114121084
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine
SMILESCOC1CC(Nc2cc([N+](=O)[O-])cc(N)n2)C1
InChIInChI=1S/C10H14N4O3/c1-17-8-2-6(3-8)12-10-5-7(14(15)16)4-9(11)13-10/h4-6,8H,2-3H2,1H3,(H3,11,12,13)
InChIKeyDYDSIOLQAVYVAL-UHFFFAOYSA-N
XLogP1.16
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
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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Related Compounds

6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile
CID 103578096
3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol
CID 114071210
N-(3-methoxycyclobutyl)-4-nitro-2-(trifluoromethyl)aniline
CID 104576762
[2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106368323
2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine
CID 114118406
N-(3-methoxycyclobutyl)-2-nitroaniline
CID 104576705
4-[[(6-amino-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106138650
6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine
CID 114101548
6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine
CID 114071424
N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine
CID 103082006
2-N-(3-methoxycyclobutyl)-6-propoxypyridine-2,5-diamine
CID 114118765
6-N-[(5-ethylthiophen-2-yl)methyl]-4-nitropyridine-2,6-diamine
CID 106015252

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine (CID 114121084) is 6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine is COC1CC(Nc2cc([N+](=O)[O-])cc(N)n2)C1.
What is the InChIKey of 6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine?
The InChIKey is DYDSIOLQAVYVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-17-8-2-6(3-8)12-10-5-7(14(15)16)4-9(11)13-10/h4-6,8H,2-3H2,1H3,(H3,11,12,13).
What are the key properties of 6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine?
6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine has a molecular weight of 238.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine is sourced from PubChem (CID 114121084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).