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

C18H19ClN6O3 — CID 118752989

IUPACN'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide;hydrochloride
SMILESCO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)cn3)o2)nc1.Cl
InChIInChI=1S/C18H18N6O3.ClH/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);1H
InChIKeyXLYUOXPFRBDONY-UHFFFAOYSA-N
MW402.84 g/mol
LogP2.36
Rot. Bonds6

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

N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide;hydrochloride (PubChem CID 118752989) has the molecular formula C18H19ClN6O3 and a molecular weight of 402.84 g/mol. Its IUPAC name is N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide;hydrochloride
PubChem CID118752989
Molecular FormulaC18H19ClN6O3
Molecular Weight402.84 g/mol
Exact Mass402.12
IUPAC NameN'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide;hydrochloride
SMILESCO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)cn3)o2)nc1.Cl
InChIInChI=1S/C18H18N6O3.ClH/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);1H
InChIKeyXLYUOXPFRBDONY-UHFFFAOYSA-N
XLogP2.36
TPSA134.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 52.36
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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Related Compounds

N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)acetamide
CID 46880333
Pyridyl derivative, 15
CID 44520940
N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)cyclopropanecarboxamide
CID 46866591
[5-(4-Fluoro-phenyl)-furan-2-ylmethyl]-pyridin-2-ylmethyl-amine
CID 6464045
2,5-bis[4-(2-Pyridylimino)aminophenyl]furan
CID 474722
6-[5-(4-Carbamimidoylphenyl)-2-furyl]pyridine-3-carboxamidine
CID 9817976
6-[5-[(4-Carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide
CID 10022614
6-[5-(5-Carbamimidoyl-2-pyridyl)-2-furyl]pyridine-3-carboxamidine
CID 10870488
5-[5-(4-Carbamimidoylphenyl)furan-2-yl]pyridine-2-carboximidamide
CID 10979651
5-(Furan-2-yl)-1,6-naphthyridin-2(1H)-one
CID 13560740
3-Fluoro-5-(5-(2-pyridyl)-2-furyl)-benzonitrile
CID 21942492
6-[5-(4-Carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide
CID 44567853

Frequently Asked Questions

What is the IUPAC name of N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide;hydrochloride?
The IUPAC name of N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide;hydrochloride (CID 118752989) is N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide;hydrochloride.
What is the SMILES notation for N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide;hydrochloride?
The canonical SMILES for N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide;hydrochloride is CO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)cn3)o2)nc1.Cl.
What is the InChIKey of N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide;hydrochloride?
The InChIKey is XLYUOXPFRBDONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3.ClH/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);1H.
What are the key properties of N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide;hydrochloride?
N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide;hydrochloride has a molecular weight of 402.84 g/mol, XLogP of 2.36, 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]furan-2-yl]pyridine-3-carboximidamide;hydrochloride is sourced from PubChem (CID 118752989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).