N'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide

C20H20N6O2 — CID 91254126

IUPACN'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide
SMILESCON=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=NOC)nc3)cc2)cn1
InChIInChI=1S/C20H20N6O2/c1-27-25-19(21)17-9-7-15(11-23-17)13-3-5-14(6-4-13)16-8-10-18(24-12-16)20(22)26-28-2/h3-12H,1-2H3,(H2,21,25)(H2,22,26)
InChIKeyIIHDJAOQHQTQDE-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.34
Rot. Bonds6

About N'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide

N'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide (PubChem CID 91254126) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide
PubChem CID91254126
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide
SMILESCON=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=NOC)nc3)cc2)cn1
InChIInChI=1S/C20H20N6O2/c1-27-25-19(21)17-9-7-15(11-23-17)13-3-5-14(6-4-13)16-8-10-18(24-12-16)20(22)26-28-2/h3-12H,1-2H3,(H2,21,25)(H2,22,26)
InChIKeyIIHDJAOQHQTQDE-UHFFFAOYSA-N
XLogP2.34
TPSA121.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.34
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N',5-dimethoxypyridine-2-carboximidamide
CID 123379844
N'-methoxy-4-[6-[4-[(E)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]benzenecarboximidamide
CID 11849847
N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 58478039
1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine
CID 58985480
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
[(E)-[[4-[5-[6-[(E)-N'-acetyloxycarbamimidoyl]-3-pyridinyl]furan-2-yl]phenyl]-aminomethylidene]amino] acetate
CID 11069852
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
hydron;5-pyridin-4-ylpyridine-2-carboxamide
CID 175541988
5-(4-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983912
N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide
CID 172920316
5-(4-fluorophenyl)pyridine-2-carboxamide
CID 150496667
N'-methoxypyridine-3-carboximidamide
CID 82467799

Frequently Asked Questions

What is the IUPAC name of N'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide?
The IUPAC name of N'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide (CID 91254126) is N'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide is CON=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=NOC)nc3)cc2)cn1.
What is the InChIKey of N'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide?
The InChIKey is IIHDJAOQHQTQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-27-25-19(21)17-9-7-15(11-23-17)13-3-5-14(6-4-13)16-8-10-18(24-12-16)20(22)26-28-2/h3-12H,1-2H3,(H2,21,25)(H2,22,26).
What are the key properties of N'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide?
N'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide has a molecular weight of 376.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxy-5-[4-[6-(N'-methoxycarbamimidoyl)-3-pyridinyl]phenyl]pyridine-2-carboximidamide is sourced from PubChem (CID 91254126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).