3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol

C10H14N4O3 — CID 114071210

IUPAC3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol
SMILESCNc1cc([N+](=O)[O-])cc(NC2CC(O)C2)n1
InChIInChI=1S/C10H14N4O3/c1-11-9-4-7(14(16)17)5-10(13-9)12-6-2-8(15)3-6/h4-6,8,15H,2-3H2,1H3,(H2,11,12,13)
InChIKeyHFWPUHGYACUWKA-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.97
Rot. Bonds4

About 3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol

3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol (PubChem CID 114071210) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol
PubChem CID114071210
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol
SMILESCNc1cc([N+](=O)[O-])cc(NC2CC(O)C2)n1
InChIInChI=1S/C10H14N4O3/c1-11-9-4-7(14(16)17)5-10(13-9)12-6-2-8(15)3-6/h4-6,8,15H,2-3H2,1H3,(H2,11,12,13)
InChIKeyHFWPUHGYACUWKA-UHFFFAOYSA-N
XLogP0.97
TPSA100.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.97
H-Bond Donors ≤ 53
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-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine
CID 114121084
3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856009
6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine
CID 114071424
3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 104952878
6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine
CID 106014998
6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine
CID 114071063
2-ethyl-2-[[[6-(methylamino)-4-nitro-2-pyridinyl]amino]methyl]butan-1-ol
CID 106258324
6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine
CID 104695824
6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine
CID 114071046
3-[[(6-hydrazinyl-4-nitro-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 114071507
6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine
CID 114101548
2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol
CID 106163269

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol (CID 114071210) is 3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol is CNc1cc([N+](=O)[O-])cc(NC2CC(O)C2)n1.
What is the InChIKey of 3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol?
The InChIKey is HFWPUHGYACUWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-11-9-4-7(14(16)17)5-10(13-9)12-6-2-8(15)3-6/h4-6,8,15H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of 3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol?
3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol has a molecular weight of 238.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol is sourced from PubChem (CID 114071210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).