N'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide

C18H18N8O2 — CID 73346582

IUPACN'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide
SMILESCO/N=C(\N)c1ccc(-c2cncc(-c3ccc(/C(N)=N\OC)cn3)n2)nc1
InChIInChI=1S/C18H18N8O2/c1-27-25-17(19)11-3-5-13(22-7-11)15-9-21-10-16(24-15)14-6-4-12(8-23-14)18(20)26-28-2/h3-10H,1-2H3,(H2,19,25)(H2,20,26)
InChIKeyBLMDCFSHJNSZJD-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.13
Rot. Bonds6

About N'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide

N'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide (PubChem CID 73346582) has the molecular formula C18H18N8O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is N'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide
PubChem CID73346582
Molecular FormulaC18H18N8O2
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC NameN'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide
SMILESCO/N=C(\N)c1ccc(-c2cncc(-c3ccc(/C(N)=N\OC)cn3)n2)nc1
InChIInChI=1S/C18H18N8O2/c1-27-25-17(19)11-3-5-13(22-7-11)15-9-21-10-16(24-15)14-6-4-12(8-23-14)18(20)26-28-2/h3-10H,1-2H3,(H2,19,25)(H2,20,26)
InChIKeyBLMDCFSHJNSZJD-UHFFFAOYSA-N
XLogP1.13
TPSA146.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of N'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide?
The IUPAC name of N'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide (CID 73346582) is N'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide?
The canonical SMILES for N'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide is CO/N=C(\N)c1ccc(-c2cncc(-c3ccc(/C(N)=N\OC)cn3)n2)nc1.
What is the InChIKey of N'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide?
The InChIKey is BLMDCFSHJNSZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O2/c1-27-25-17(19)11-3-5-13(22-7-11)15-9-21-10-16(24-15)14-6-4-12(8-23-14)18(20)26-28-2/h3-10H,1-2H3,(H2,19,25)(H2,20,26).
What are the key properties of N'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide?
N'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide has a molecular weight of 378.40 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxy-6-[6-[5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]pyrazin-2-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 73346582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).