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

C13H19N3O3 — CID 106130818

IUPAC4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESCc1cnc(NCC2CCC(O)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-9-7-14-13(6-12(9)16(18)19)15-8-10-2-4-11(17)5-3-10/h6-7,10-11,17H,2-5,8H2,1H3,(H,14,15)
InChIKeyFCWVKQHCTGFVGN-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.26
Rot. Bonds4

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

4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (PubChem CID 106130818) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
PubChem CID106130818
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESCc1cnc(NCC2CCC(O)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-9-7-14-13(6-12(9)16(18)19)15-8-10-2-4-11(17)5-3-10/h6-7,10-11,17H,2-5,8H2,1H3,(H,14,15)
InChIKeyFCWVKQHCTGFVGN-UHFFFAOYSA-N
XLogP2.26
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.26
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

N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83266650
5-methyl-4-nitro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 83269750
4-[(4-methyl-3-nitroanilino)methyl]cyclohexan-1-ol
CID 106130779
5-methyl-N-[(2-methyloxolan-3-yl)methyl]-4-nitropyridin-2-amine
CID 114106282
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83269747
2-[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133329211
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79176232
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 79176047
2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83267356

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (CID 106130818) is 4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol is Cc1cnc(NCC2CCC(O)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is FCWVKQHCTGFVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-7-14-13(6-12(9)16(18)19)15-8-10-2-4-11(17)5-3-10/h6-7,10-11,17H,2-5,8H2,1H3,(H,14,15).
What are the key properties of 4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 265.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106130818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).