(E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide

C21H18ClN3 — CID 11187118

IUPAC(E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide
SMILESNC(/C=C/c1ccc(Cc2ccncc2)cc1)=N\c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3/c22-19-6-8-20(9-7-19)25-21(23)10-5-16-1-3-17(4-2-16)15-18-11-13-24-14-12-18/h1-14H,15H2,(H2,23,25)/b10-5+
InChIKeyOVYDCGQQYOVLCO-BJMVGYQFSA-N
MW347.85 g/mol
LogP5.03
Rot. Bonds5

About (E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide

(E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide (PubChem CID 11187118) has the molecular formula C21H18ClN3 and a molecular weight of 347.85 g/mol. Its IUPAC name is (E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide
PubChem CID11187118
Molecular FormulaC21H18ClN3
Molecular Weight347.85 g/mol
Exact Mass347.12
IUPAC Name(E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide
SMILESNC(/C=C/c1ccc(Cc2ccncc2)cc1)=N\c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3/c22-19-6-8-20(9-7-19)25-21(23)10-5-16-1-3-17(4-2-16)15-18-11-13-24-14-12-18/h1-14H,15H2,(H2,23,25)/b10-5+
InChIKeyOVYDCGQQYOVLCO-BJMVGYQFSA-N
XLogP5.03
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide?
The IUPAC name of (E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide (CID 11187118) is (E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide.
What is the SMILES notation for (E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide?
The canonical SMILES for (E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide is NC(/C=C/c1ccc(Cc2ccncc2)cc1)=N\c1ccc(Cl)cc1.
What is the InChIKey of (E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide?
The InChIKey is OVYDCGQQYOVLCO-BJMVGYQFSA-N. The full InChI is InChI=1S/C21H18ClN3/c22-19-6-8-20(9-7-19)25-21(23)10-5-16-1-3-17(4-2-16)15-18-11-13-24-14-12-18/h1-14H,15H2,(H2,23,25)/b10-5+.
What are the key properties of (E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide?
(E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide has a molecular weight of 347.85 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enimidamide is sourced from PubChem (CID 11187118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).