N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine

C13H19N3O3 — CID 133399425

IUPACN-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine
SMILESCOC1CCCC(Nc2ncc([N+](=O)[O-])cc2C)C1
InChIInChI=1S/C13H19N3O3/c1-9-6-11(16(17)18)8-14-13(9)15-10-4-3-5-12(7-10)19-2/h6,8,10,12H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyYOWMTGCYAZNBSC-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.67
Rot. Bonds4

About N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine

N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine (PubChem CID 133399425) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine
PubChem CID133399425
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine
SMILESCOC1CCCC(Nc2ncc([N+](=O)[O-])cc2C)C1
InChIInChI=1S/C13H19N3O3/c1-9-6-11(16(17)18)8-14-13(9)15-10-4-3-5-12(7-10)19-2/h6,8,10,12H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyYOWMTGCYAZNBSC-UHFFFAOYSA-N
XLogP2.67
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
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-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-methyl-5-nitropyridin-2-amine
CID 129471050
N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78951023
N-(3-methoxycyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 106872073
2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline
CID 103826250
N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine
CID 133473587
3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103704257
2-chloro-N-(3-methoxycyclohexyl)-4-nitroaniline
CID 103826236
2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376408
1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine
CID 62475699
2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 55080985
N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine
CID 62475877
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine (CID 133399425) is N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine is COC1CCCC(Nc2ncc([N+](=O)[O-])cc2C)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine?
The InChIKey is YOWMTGCYAZNBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-6-11(16(17)18)8-14-13(9)15-10-4-3-5-12(7-10)19-2/h6,8,10,12H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine?
N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine has a molecular weight of 265.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 133399425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).