[4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol

C14H22N4O3 — CID 80803369

IUPAC[4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol
SMILESCNc1ccc([N+](=O)[O-])c(NC2(CO)CCC(C)CC2)n1
InChIInChI=1S/C14H22N4O3/c1-10-5-7-14(9-19,8-6-10)17-13-11(18(20)21)3-4-12(15-2)16-13/h3-4,10,19H,5-9H2,1-2H3,(H2,15,16,17)
InChIKeyPLZHHUXAKZVBSM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.38
Rot. Bonds5

About [4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol

[4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol (PubChem CID 80803369) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is [4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol
PubChem CID80803369
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name[4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol
SMILESCNc1ccc([N+](=O)[O-])c(NC2(CO)CCC(C)CC2)n1
InChIInChI=1S/C14H22N4O3/c1-10-5-7-14(9-19,8-6-10)17-13-11(18(20)21)3-4-12(15-2)16-13/h3-4,10,19H,5-9H2,1-2H3,(H2,15,16,17)
InChIKeyPLZHHUXAKZVBSM-UHFFFAOYSA-N
XLogP2.38
TPSA100.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.38
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-(3-amino-4-nitroanilino)-4-methylcyclohexyl]methanol
CID 106749254
6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine
CID 106219538
[4-methyl-1-(2-methyl-3-nitroanilino)cyclohexyl]methanol
CID 63077609
[4-[(6-methyl-3-nitro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106299450
2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80846872
2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol
CID 80827369
2-N-(2-cyclopentylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80790451
[1-[(5-chloro-2-nitrophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79556482
2-N-(2-cyclohexylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80791889
[1-(4-chloro-5-fluoro-2-nitroanilino)-4-methylcyclohexyl]methanol
CID 66077597
3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 106138420
[1-(2-fluoro-4-nitroanilino)-4-methylcyclohexyl]methanol
CID 62526018

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol (CID 80803369) is [4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol is CNc1ccc([N+](=O)[O-])c(NC2(CO)CCC(C)CC2)n1.
What is the InChIKey of [4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol?
The InChIKey is PLZHHUXAKZVBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-5-7-14(9-19,8-6-10)17-13-11(18(20)21)3-4-12(15-2)16-13/h3-4,10,19H,5-9H2,1-2H3,(H2,15,16,17).
What are the key properties of [4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol?
[4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol has a molecular weight of 294.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 80803369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).