methyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate

C10H14N4O3 — CID 175600972

IUPACmethyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(N)=NO)cc(N(C)C)n1
InChIInChI=1S/C10H14N4O3/c1-14(2)8-5-6(9(11)13-16)4-7(12-8)10(15)17-3/h4-5,16H,1-3H3,(H2,11,13)
InChIKeyURPTXOXVVOXRKL-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.03
Rot. Bonds3

About methyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate

methyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate (PubChem CID 175600972) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is methyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate
PubChem CID175600972
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Namemethyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(N)=NO)cc(N(C)C)n1
InChIInChI=1S/C10H14N4O3/c1-14(2)8-5-6(9(11)13-16)4-7(12-8)10(15)17-3/h4-5,16H,1-3H3,(H2,11,13)
InChIKeyURPTXOXVVOXRKL-UHFFFAOYSA-N
XLogP0.03
TPSA101.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.03
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]benzoate
CID 142582139
methyl 4-(N'-hydroxycarbamimidoyl)benzoate
CID 6815810
methyl 6-(dimethylamino)pyridazine-3-carboxylate
CID 121206143
ethane;methyl 3-[(Z)-N'-hydroxycarbamimidoyl]benzoate
CID 143509300
methyl 2-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]-3-methoxybenzoate
CID 138602367
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013495
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 137013645
methyl 3-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]benzoate
CID 121432519
methyl 3-[(E)-N'-hydroxycarbamimidoyl]-4-methoxybenzoate
CID 51063639
methyl 6-(4-carbamothioyl-N-methylanilino)pyrazine-2-carboxylate
CID 66455881
methyl 2-amino-6-methylpyrimidine-4-carboxylate
CID 818455

Frequently Asked Questions

What is the IUPAC name of methyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate (CID 175600972) is methyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate is COC(=O)c1cc(C(N)=NO)cc(N(C)C)n1.
What is the InChIKey of methyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate?
The InChIKey is URPTXOXVVOXRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-14(2)8-5-6(9(11)13-16)4-7(12-8)10(15)17-3/h4-5,16H,1-3H3,(H2,11,13).
What are the key properties of methyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate?
methyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate has a molecular weight of 238.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(dimethylamino)-4-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylate is sourced from PubChem (CID 175600972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).