6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine

C12H19N3O3 — CID 82944671

IUPAC6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine
SMILESCCCOCCCNc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C12H19N3O3/c1-3-8-18-9-4-7-13-12-6-5-11(15(16)17)10(2)14-12/h5-6H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeyKSVZOQYLEFSXGU-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.53
Rot. Bonds8

About 6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine

6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine (PubChem CID 82944671) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine
PubChem CID82944671
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine
SMILESCCCOCCCNc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C12H19N3O3/c1-3-8-18-9-4-7-13-12-6-5-11(15(16)17)10(2)14-12/h5-6H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeyKSVZOQYLEFSXGU-UHFFFAOYSA-N
XLogP2.53
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.53
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

N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 80719198
6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82947445
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine
CID 103764632
2-[3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propoxy]ethanol
CID 106311526
5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 83266664
6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
CID 75426721
3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82946841
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
6-butyl-5-nitro-N-propylpyridin-2-amine
CID 106659336
N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80861686

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine?
The IUPAC name of 6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine (CID 82944671) is 6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine?
The canonical SMILES for 6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine is CCCOCCCNc1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of 6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine?
The InChIKey is KSVZOQYLEFSXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-8-18-9-4-7-13-12-6-5-11(15(16)17)10(2)14-12/h5-6H,3-4,7-9H2,1-2H3,(H,13,14).
What are the key properties of 6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine?
6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine has a molecular weight of 253.30 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine is sourced from PubChem (CID 82944671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).