4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide

C19H17N5 — CID 11849618

IUPAC4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])cc3)nc2)cc1
InChIInChI=1S/C19H17N5/c20-18(21)14-5-1-12(2-6-14)16-9-10-17(24-11-16)13-3-7-15(8-4-13)19(22)23/h1-11H,(H3,20,21)(H3,22,23)
InChIKeyFAUILVKVKCMWSZ-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.98
Rot. Bonds4

About 4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide

4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide (PubChem CID 11849618) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide
PubChem CID11849618
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])cc3)nc2)cc1
InChIInChI=1S/C19H17N5/c20-18(21)14-5-1-12(2-6-14)16-9-10-17(24-11-16)13-3-7-15(8-4-13)19(22)23/h1-11H,(H3,20,21)(H3,22,23)
InChIKeyFAUILVKVKCMWSZ-UHFFFAOYSA-N
XLogP2.98
TPSA112.63 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Azatadine
CID 19861
Triprolidine Hydrochloride Anhydrous
CID 5702129
Anabaseine
CID 18985
2-(3-Phenylpropyl)Pyridine
CID 459494
3-Phenylpyridine
CID 13886
Lanicemine
CID 9794203
2,3-Diphenylpyrazine
CID 243907
2-Phenylpyridine
CID 13887
2-(Phenylmethyl)pyridine
CID 7581

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide?
The IUPAC name of 4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide (CID 11849618) is 4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide.
What is the SMILES notation for 4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide?
The canonical SMILES for 4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])cc3)nc2)cc1.
What is the InChIKey of 4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide?
The InChIKey is FAUILVKVKCMWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c20-18(21)14-5-1-12(2-6-14)16-9-10-17(24-11-16)13-3-7-15(8-4-13)19(22)23/h1-11H,(H3,20,21)(H3,22,23).
What are the key properties of 4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide?
4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide has a molecular weight of 315.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]benzenecarboximidamide is sourced from PubChem (CID 11849618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).