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

C10H15N3O3 — CID 62477722

IUPACN-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine
SMILESCOCCCNc1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C10H15N3O3/c1-8-6-9(13(14)15)7-12-10(8)11-4-3-5-16-2/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeySEORRVFDKIGQNS-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.75
Rot. Bonds6

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

N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine (PubChem CID 62477722) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine
PubChem CID62477722
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine
SMILESCOCCCNc1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C10H15N3O3/c1-8-6-9(13(14)15)7-12-10(8)11-4-3-5-16-2/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeySEORRVFDKIGQNS-UHFFFAOYSA-N
XLogP1.75
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[2-(2-methylpropoxy)ethyl]-5-nitropyridin-2-amine
CID 115618354
2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103858510
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948
N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine
CID 63237716
3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 62478044
N-ethyl-N-[3-[(3-methyl-5-nitro-2-pyridinyl)amino]propyl]methanesulfonamide
CID 62477733
3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 56571040
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690
3-methyl-5-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 62475677
N-(4-methoxybutyl)-2-methyl-5-nitroaniline
CID 55091211
3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid
CID 81077962

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine (CID 62477722) is N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine is COCCCNc1ncc([N+](=O)[O-])cc1C.
What is the InChIKey of N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine?
The InChIKey is SEORRVFDKIGQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-8-6-9(13(14)15)7-12-10(8)11-4-3-5-16-2/h6-7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine?
N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine has a molecular weight of 225.25 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 62477722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).