4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide

C19H15Cl2N5O2 — CID 10573919

IUPAC4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2nc(Oc3ccc(/C(N)=N/[H])cc3)c(Cl)cc2Cl)cc1
InChIInChI=1S/C19H15Cl2N5O2/c20-14-9-15(21)19(28-13-7-3-11(4-8-13)17(24)25)26-18(14)27-12-5-1-10(2-6-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25)
InChIKeyHRUCQVIIUGSDPQ-UHFFFAOYSA-N
MW416.27 g/mol
LogP4.54
Rot. Bonds6

About 4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide

4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide (PubChem CID 10573919) has the molecular formula C19H15Cl2N5O2 and a molecular weight of 416.27 g/mol. Its IUPAC name is 4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide
PubChem CID10573919
Molecular FormulaC19H15Cl2N5O2
Molecular Weight416.27 g/mol
Exact Mass415.06
IUPAC Name4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2nc(Oc3ccc(/C(N)=N/[H])cc3)c(Cl)cc2Cl)cc1
InChIInChI=1S/C19H15Cl2N5O2/c20-14-9-15(21)19(28-13-7-3-11(4-8-13)17(24)25)26-18(14)27-12-5-1-10(2-6-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25)
InChIKeyHRUCQVIIUGSDPQ-UHFFFAOYSA-N
XLogP4.54
TPSA131.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.27
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-{6-[4-Amino(imino)methylphenoxy]-2-pyridyloxy}phenyl-iminomethanamine
CID 9997816
3-{6-[3-Amino(imino)methylphenoxy]-3,5-dichloro-2-pyridyloxy}phenyl-iminomethanamine
CID 10525943
4-{6-[3-Amino(imino)methylphenoxy]-2-pyridyloxy}phenyl-iminomethanamine
CID 10665326
3-{6-[3-Amino(imino)methylphenoxy]-3,5-difluoro-2-pyridyloxy}phenyl-iminomethanamine
CID 10691360
3-{6-[3-Amino(imino)methylphenoxy]-2-pyridyloxy}phenyl-iminomethanamine
CID 10831506
4-(3,5-Dichloro-pyridin-4-yloxy)-N-hydroxy-benzamidine
CID 5704385
2-{6-[4-Amino(imino)methylphenoxy]-2-pyridyloxy}phenyl-iminomethanamine
CID 44294202
N'-methoxy-4-[[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide
CID 164614985
3-[6-(3-Chloro-phenoxy)-3,5-difluoro-4-methyl-pyridin-2-yloxy]-benzamidine
CID 10883641
2-{6-[2-Amino(imino)methylphenoxy]-2-pyridyloxy}phenyl-iminomethanamine
CID 10712659
4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}-N'-hydroxybenzene-1-carboximidamide
CID 9580891
5-Chloro-3-fluoro-6-(2-phenylmethoxyphenoxy)pyridin-2-amine
CID 132167541

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide?
The IUPAC name of 4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide (CID 10573919) is 4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide.
What is the SMILES notation for 4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide?
The canonical SMILES for 4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2nc(Oc3ccc(/C(N)=N/[H])cc3)c(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide?
The InChIKey is HRUCQVIIUGSDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O2/c20-14-9-15(21)19(28-13-7-3-11(4-8-13)17(24)25)26-18(14)27-12-5-1-10(2-6-12)16(22)23/h1-9H,(H3,22,23)(H3,24,25).
What are the key properties of 4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide?
4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide has a molecular weight of 416.27 g/mol, XLogP of 4.54, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-carbamimidoylphenoxy)-3,5-dichloro-2-pyridinyl]oxy]benzenecarboximidamide is sourced from PubChem (CID 10573919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).