N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine

C20H32N4O4 — CID 71053746

IUPACN-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine
SMILESCCOC1CCC(C)(N2CCC(Nc3nc(OC)ccc3[N+](=O)[O-])CC2)CC1
InChIInChI=1S/C20H32N4O4/c1-4-28-16-7-11-20(2,12-8-16)23-13-9-15(10-14-23)21-19-17(24(25)26)5-6-18(22-19)27-3/h5-6,15-16H,4,7-14H2,1-3H3,(H,21,22)
InChIKeyCVJHRWOELGCMDM-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.61
Rot. Bonds7

About N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine

N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine (PubChem CID 71053746) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine
PubChem CID71053746
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC NameN-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine
SMILESCCOC1CCC(C)(N2CCC(Nc3nc(OC)ccc3[N+](=O)[O-])CC2)CC1
InChIInChI=1S/C20H32N4O4/c1-4-28-16-7-11-20(2,12-8-16)23-13-9-15(10-14-23)21-19-17(24(25)26)5-6-18(22-19)27-3/h5-6,15-16H,4,7-14H2,1-3H3,(H,21,22)
InChIKeyCVJHRWOELGCMDM-UHFFFAOYSA-N
XLogP3.61
TPSA89.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321551
tert-butyl 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylate
CID 67130835
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 115321461
N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321476
6-methoxy-N-(3-methylsulfanylcyclohexyl)-3-nitropyridin-2-amine
CID 103739215
1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine
CID 67344064
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
N-(2,4-dimethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321546
6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine
CID 114695495
4-methyl-4-[4-(2-nitroanilino)piperidin-1-yl]cyclohexan-1-ol
CID 143542611
6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 115321590
N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine
CID 103863968

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine?
The IUPAC name of N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine (CID 71053746) is N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine.
What is the SMILES notation for N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine?
The canonical SMILES for N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine is CCOC1CCC(C)(N2CCC(Nc3nc(OC)ccc3[N+](=O)[O-])CC2)CC1.
What is the InChIKey of N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine?
The InChIKey is CVJHRWOELGCMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-4-28-16-7-11-20(2,12-8-16)23-13-9-15(10-14-23)21-19-17(24(25)26)5-6-18(22-19)27-3/h5-6,15-16H,4,7-14H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine?
N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine has a molecular weight of 392.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine is sourced from PubChem (CID 71053746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).