2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile

C10H13N5O2 — CID 113285817

IUPAC2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile
SMILESCN(CCCN)c1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C10H13N5O2/c1-14(4-2-3-11)10-8(6-12)5-9(7-13-10)15(16)17/h5,7H,2-4,11H2,1H3
InChIKeyYXCKKJUFEJLJQE-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.65
Rot. Bonds5

About 2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile

2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile (PubChem CID 113285817) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile
PubChem CID113285817
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile
SMILESCN(CCCN)c1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C10H13N5O2/c1-14(4-2-3-11)10-8(6-12)5-9(7-13-10)15(16)17/h5,7H,2-4,11H2,1H3
InChIKeyYXCKKJUFEJLJQE-UHFFFAOYSA-N
XLogP0.65
TPSA109.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carbonitrile
CID 62335404
N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62688298
2-[1-cyanopropan-2-yl(methyl)amino]-5-nitropyridine-3-carbonitrile
CID 63228520
2-[ethyl(2-hydroxyethyl)amino]-5-nitropyridine-3-carbonitrile
CID 60678518
ethyl 2-[(3-cyano-5-nitro-2-pyridinyl)-ethylamino]acetate
CID 62099895
2-[4-(dimethylamino)butan-2-ylamino]-5-nitropyridine-3-carbonitrile
CID 55037209
N'-methyl-N'-(2-methyl-4-nitrophenyl)propane-1,3-diamine
CID 115319475
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77017344
N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 112675382
N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide
CID 76935186
2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile
CID 63637867
2-aminooxy-5-nitropyridine-3-carbonitrile
CID 79427693

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile?
The IUPAC name of 2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile (CID 113285817) is 2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile is CN(CCCN)c1ncc([N+](=O)[O-])cc1C#N.
What is the InChIKey of 2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile?
The InChIKey is YXCKKJUFEJLJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-14(4-2-3-11)10-8(6-12)5-9(7-13-10)15(16)17/h5,7H,2-4,11H2,1H3.
What are the key properties of 2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile?
2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile has a molecular weight of 235.25 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 113285817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).