N-(3-methoxypropyl)-4-nitropyridin-3-amine

C9H13N3O3 — CID 123201064

IUPACN-(3-methoxypropyl)-4-nitropyridin-3-amine
SMILESCOCCCNc1cnccc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O3/c1-15-6-2-4-11-8-7-10-5-3-9(8)12(13)14/h3,5,7,11H,2,4,6H2,1H3
InChIKeyQKKCCYNIYOAYRG-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.44
Rot. Bonds6

About N-(3-methoxypropyl)-4-nitropyridin-3-amine

N-(3-methoxypropyl)-4-nitropyridin-3-amine (PubChem CID 123201064) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-nitropyridin-3-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-nitropyridin-3-amine
PubChem CID123201064
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(3-methoxypropyl)-4-nitropyridin-3-amine
SMILESCOCCCNc1cnccc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O3/c1-15-6-2-4-11-8-7-10-5-3-9(8)12(13)14/h3,5,7,11H,2,4,6H2,1H3
InChIKeyQKKCCYNIYOAYRG-UHFFFAOYSA-N
XLogP1.44
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.44
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-methoxypropyl)-8-nitroquinolin-5-amine
CID 43386307
4-iodo-N-(3-methoxypropyl)-2-nitroaniline
CID 60767123
4-chloro-N-(3-methoxypropyl)-2-nitroaniline
CID 43089839
1-N-(3-methoxypropyl)-2-nitrobenzene-1,4-diamine
CID 95446704
4-(3-methoxypropylamino)-3-nitrobenzonitrile
CID 39771872
methyl 3-(3-methoxypropylamino)-4-nitrobenzoate
CID 66786483
3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile
CID 113337626
N-(8-hexoxyoctyl)-3-nitropyridin-4-amine
CID 90319518
4-methoxy-N-(4-methoxybutyl)-2-nitroaniline
CID 60965413
N-(2-butoxyethyl)-3-nitropyridin-4-amine
CID 61175883
N-(4-nitro-3-pyridinyl)nitramide
CID 119087144
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-nitropyridin-3-amine?
The IUPAC name of N-(3-methoxypropyl)-4-nitropyridin-3-amine (CID 123201064) is N-(3-methoxypropyl)-4-nitropyridin-3-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-nitropyridin-3-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-nitropyridin-3-amine is COCCCNc1cnccc1[N+](=O)[O-].
What is the InChIKey of N-(3-methoxypropyl)-4-nitropyridin-3-amine?
The InChIKey is QKKCCYNIYOAYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-15-6-2-4-11-8-7-10-5-3-9(8)12(13)14/h3,5,7,11H,2,4,6H2,1H3.
What are the key properties of N-(3-methoxypropyl)-4-nitropyridin-3-amine?
N-(3-methoxypropyl)-4-nitropyridin-3-amine has a molecular weight of 211.22 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-nitropyridin-3-amine is sourced from PubChem (CID 123201064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).