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

C18H18N6O2S — CID 25271457

IUPACN'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide
SMILESCO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)cn3)s2)nc1
InChIInChI=1S/C18H18N6O2S/c1-25-23-17(19)11-3-5-13(21-9-11)15-7-8-16(27-15)14-6-4-12(10-22-14)18(20)24-26-2/h3-10H,1-2H3,(H2,19,23)(H2,20,24)
InChIKeyWYBWKMTUCGYGRK-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.41
Rot. Bonds6

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

N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide (PubChem CID 25271457) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide
PubChem CID25271457
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC NameN'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide
SMILESCO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)cn3)s2)nc1
InChIInChI=1S/C18H18N6O2S/c1-25-23-17(19)11-3-5-13(21-9-11)15-7-8-16(27-15)14-6-4-12(10-22-14)18(20)24-26-2/h3-10H,1-2H3,(H2,19,23)(H2,20,24)
InChIKeyWYBWKMTUCGYGRK-UHFFFAOYSA-N
XLogP2.41
TPSA121.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide?
The IUPAC name of N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide (CID 25271457) is N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide?
The canonical SMILES for N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide is CO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)cn3)s2)nc1.
What is the InChIKey of N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide?
The InChIKey is WYBWKMTUCGYGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-25-23-17(19)11-3-5-13(21-9-11)15-7-8-16(27-15)14-6-4-12(10-22-14)18(20)24-26-2/h3-10H,1-2H3,(H2,19,23)(H2,20,24).
What are the key properties of N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide?
N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide has a molecular weight of 382.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]thiophen-2-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 25271457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).