N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine

C12H17N3O3 — CID 103082006

IUPACN-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine
SMILESCOC1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)C1
InChIInChI=1S/C12H17N3O3/c1-8-11(15(16)17)5-6-12(13-8)14-9-3-4-10(7-9)18-2/h5-6,9-10H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyNMJWLMRULYXMFM-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.28
Rot. Bonds4

About N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine

N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine (PubChem CID 103082006) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine
PubChem CID103082006
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine
SMILESCOC1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)C1
InChIInChI=1S/C12H17N3O3/c1-8-11(15(16)17)5-6-12(13-8)14-9-3-4-10(7-9)18-2/h5-6,9-10H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyNMJWLMRULYXMFM-UHFFFAOYSA-N
XLogP2.28
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine (CID 103082006) is N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine is COC1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)C1.
What is the InChIKey of N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine?
The InChIKey is NMJWLMRULYXMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-11(15(16)17)5-6-12(13-8)14-9-3-4-10(7-9)18-2/h5-6,9-10H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine?
N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclopentyl)-6-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 103082006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).