[1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol

C11H15N3O3 — CID 115731868

IUPAC[1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
SMILESCc1cnc(NC2(CO)CCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-8-5-9(14(16)17)10(12-6-8)13-11(7-15)3-2-4-11/h5-6,15H,2-4,7H2,1H3,(H,12,13)
InChIKeyZDMYLXLLOVQZPP-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.63
Rot. Bonds4

About [1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol

[1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol (PubChem CID 115731868) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is [1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
PubChem CID115731868
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name[1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
SMILESCc1cnc(NC2(CO)CCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-8-5-9(14(16)17)10(12-6-8)13-11(7-15)3-2-4-11/h5-6,15H,2-4,7H2,1H3,(H,12,13)
InChIKeyZDMYLXLLOVQZPP-UHFFFAOYSA-N
XLogP1.63
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
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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Related Compounds

[1-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol
CID 104507954
[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
CID 115731831
5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
CID 106215072
2-[[1-(hydroxymethyl)cyclobutyl]amino]-5-nitropyridine-3-carboxylic acid
CID 114046863
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
[1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
CID 114043278
N-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807
N-(1-cyclopentylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66278957
[3-methyl-1-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol
CID 79176592
N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280695
N-benzyl-5-methyl-3-nitropyridin-2-amine
CID 24903143
2-[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]acetic acid
CID 79846545

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol?
The IUPAC name of [1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol (CID 115731868) is [1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol?
The canonical SMILES for [1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol is Cc1cnc(NC2(CO)CCC2)c([N+](=O)[O-])c1.
What is the InChIKey of [1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol?
The InChIKey is ZDMYLXLLOVQZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-5-9(14(16)17)10(12-6-8)13-11(7-15)3-2-4-11/h5-6,15H,2-4,7H2,1H3,(H,12,13).
What are the key properties of [1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol?
[1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol has a molecular weight of 237.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol is sourced from PubChem (CID 115731868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).