3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine

C13H19BrN4O2 — CID 103877913

IUPAC3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine
SMILESCN(C)C1(CNc2c(Br)cncc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C13H19BrN4O2/c1-17(2)13(5-3-4-6-13)9-16-12-10(14)7-15-8-11(12)18(19)20/h7-8H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyRRHRKIPEUAQLKG-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.04
Rot. Bonds5

About 3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine

3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine (PubChem CID 103877913) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is 3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine
PubChem CID103877913
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC Name3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine
SMILESCN(C)C1(CNc2c(Br)cncc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C13H19BrN4O2/c1-17(2)13(5-3-4-6-13)9-16-12-10(14)7-15-8-11(12)18(19)20/h7-8H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyRRHRKIPEUAQLKG-UHFFFAOYSA-N
XLogP3.04
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.04
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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Related Compounds

3-bromo-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-4-amine
CID 103519376
3-bromo-N-(1-methylcyclopentyl)-5-nitropyridin-4-amine
CID 103519296
N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 103519566
3-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-nitropyridin-4-amine
CID 103877894
1-[(3-bromo-5-nitro-4-pyridinyl)amino]cyclobutane-1-carboxylic acid
CID 103519000
3-bromo-5-nitro-N-octylpyridin-4-amine
CID 103519442
3-bromo-N-[(4-methylcyclohexyl)methyl]-5-nitropyridin-4-amine
CID 103519370
3-bromo-N-(3-methylsulfanylpropyl)-5-nitropyridin-4-amine
CID 103878057
N'-(3-bromo-5-nitro-4-pyridinyl)-N-cyclopropylethane-1,2-diamine
CID 103519567
3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine
CID 113428729
3-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-nitropyridin-4-amine
CID 114128057
4-[[(3-bromo-5-nitro-4-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106130057

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine?
The IUPAC name of 3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine (CID 103877913) is 3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine?
The canonical SMILES for 3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine is CN(C)C1(CNc2c(Br)cncc2[N+](=O)[O-])CCCC1.
What is the InChIKey of 3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine?
The InChIKey is RRHRKIPEUAQLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-17(2)13(5-3-4-6-13)9-16-12-10(14)7-15-8-11(12)18(19)20/h7-8H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of 3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine?
3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine has a molecular weight of 343.23 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitropyridin-4-amine is sourced from PubChem (CID 103877913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).