3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol

C13H20N4O3 — CID 106138420

IUPAC3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol
SMILESCNc1ccc([N+](=O)[O-])c(NCC2CCCC(O)C2)n1
InChIInChI=1S/C13H20N4O3/c1-14-12-6-5-11(17(19)20)13(16-12)15-8-9-3-2-4-10(18)7-9/h5-6,9-10,18H,2-4,7-8H2,1H3,(H2,14,15,16)
InChIKeyPDHDHSVNEYPCMZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.99
Rot. Bonds5

About 3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol

3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol (PubChem CID 106138420) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol
PubChem CID106138420
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol
SMILESCNc1ccc([N+](=O)[O-])c(NCC2CCCC(O)C2)n1
InChIInChI=1S/C13H20N4O3/c1-14-12-6-5-11(17(19)20)13(16-12)15-8-9-3-2-4-10(18)7-9/h5-6,9-10,18H,2-4,7-8H2,1H3,(H2,14,15,16)
InChIKeyPDHDHSVNEYPCMZ-UHFFFAOYSA-N
XLogP1.99
TPSA100.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.99
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

3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 106138108
2-N-(2-cyclopentylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80790451
6-[(3-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103578031
6-N-methyl-3-nitro-2-N-(thiolan-3-ylmethyl)pyridine-2,6-diamine
CID 107298880
2-N-(2-cyclohexylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80791889
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80846872
3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138799
2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol
CID 80827369
3-[[5-(hydroxymethyl)-2-nitroanilino]methyl]cyclohexan-1-ol
CID 133437965
2-[(3-hydroxycyclohexyl)methylamino]-5-nitropyridine-4-carboxylic acid
CID 106136562
2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 80915820

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol (CID 106138420) is 3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol is CNc1ccc([N+](=O)[O-])c(NCC2CCCC(O)C2)n1.
What is the InChIKey of 3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is PDHDHSVNEYPCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-14-12-6-5-11(17(19)20)13(16-12)15-8-9-3-2-4-10(18)7-9/h5-6,9-10,18H,2-4,7-8H2,1H3,(H2,14,15,16).
What are the key properties of 3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).