1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol

C13H20N4O3 — CID 79815316

IUPAC1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ccc([N+](=O)[O-])c(N)n2)CC1
InChIInChI=1S/C13H20N4O3/c1-9-4-6-13(18,7-5-9)8-15-11-3-2-10(17(19)20)12(14)16-11/h2-3,9,18H,4-8H2,1H3,(H3,14,15,16)
InChIKeyQSRIXAUKCVAEMD-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.93
Rot. Bonds4

About 1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 79815316) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID79815316
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ccc([N+](=O)[O-])c(N)n2)CC1
InChIInChI=1S/C13H20N4O3/c1-9-4-6-13(18,7-5-9)8-15-11-3-2-10(17(19)20)12(14)16-11/h2-3,9,18H,4-8H2,1H3,(H3,14,15,16)
InChIKeyQSRIXAUKCVAEMD-UHFFFAOYSA-N
XLogP1.93
TPSA114.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.93
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

1-[[(6-methyl-5-nitro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 80710451
1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436128
2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid
CID 81162036
3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-4-nitrobenzonitrile
CID 104713732
6-[(1-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471774
4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol
CID 65118648
1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118460
1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 80842246
2-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79827901
2-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]phenol
CID 10083938
2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid
CID 79825656
4-methyl-1-[(3-nitroanilino)methyl]cyclohexan-1-ol
CID 65118172

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol (CID 79815316) is 1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNc2ccc([N+](=O)[O-])c(N)n2)CC1.
What is the InChIKey of 1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is QSRIXAUKCVAEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9-4-6-13(18,7-5-9)8-15-11-3-2-10(17(19)20)12(14)16-11/h2-3,9,18H,4-8H2,1H3,(H3,14,15,16).
What are the key properties of 1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 79815316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).