N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide

C10H15N5O3 — CID 103470281

IUPACN'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide
SMILESCCCN(C)c1ncc(C(N)=NO)cc1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O3/c1-3-4-14(2)10-8(15(17)18)5-7(6-12-10)9(11)13-16/h5-6,16H,3-4H2,1-2H3,(H2,11,13)
InChIKeyKPNNOBFLDOIXTA-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.93
Rot. Bonds5

About N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide

N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide (PubChem CID 103470281) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide
PubChem CID103470281
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC NameN'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide
SMILESCCCN(C)c1ncc(C(N)=NO)cc1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O3/c1-3-4-14(2)10-8(15(17)18)5-7(6-12-10)9(11)13-16/h5-6,16H,3-4H2,1-2H3,(H2,11,13)
InChIKeyKPNNOBFLDOIXTA-UHFFFAOYSA-N
XLogP0.93
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470406
6-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470370
6-[butyl(cyclopropyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470368
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 107480069
N'-hydroxy-2-[methyl(pentyl)amino]-5-nitropyridine-3-carboximidamide
CID 76935186
6-(1-ethoxypropan-2-yloxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103488543
N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 103470634
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77017344
N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide
CID 103954983
N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide
CID 103470566
6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470498
6-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470512

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide (CID 103470281) is N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide is CCCN(C)c1ncc(C(N)=NO)cc1[N+](=O)[O-].
What is the InChIKey of N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide?
The InChIKey is KPNNOBFLDOIXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-3-4-14(2)10-8(15(17)18)5-7(6-12-10)9(11)13-16/h5-6,16H,3-4H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide?
N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide has a molecular weight of 253.26 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 103470281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).