6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide

C18H16N6 — CID 71745309

IUPAC6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(-c3ccc(/C(N)=N/[H])cn3)c2)nc1
InChIInChI=1S/C18H16N6/c19-17(20)13-4-6-15(23-9-13)11-2-1-3-12(8-11)16-7-5-14(10-24-16)18(21)22/h1-10H,(H3,19,20)(H3,21,22)
InChIKeyUPYMPGKSJWULPW-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.38
Rot. Bonds4

About 6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide

6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide (PubChem CID 71745309) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide
PubChem CID71745309
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(-c3ccc(/C(N)=N/[H])cn3)c2)nc1
InChIInChI=1S/C18H16N6/c19-17(20)13-4-6-15(23-9-13)11-2-1-3-12(8-11)16-7-5-14(10-24-16)18(21)22/h1-10H,(H3,19,20)(H3,21,22)
InChIKeyUPYMPGKSJWULPW-UHFFFAOYSA-N
XLogP2.38
TPSA125.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide
CID 171526735
2-[3-(4-carbamimidoyl-2-pyridinyl)phenyl]pyridine-4-carboximidamide;dihydrochloride
CID 90664992
4-(3-carbamimidoylphenyl)pyrimidine-2-carboximidamide
CID 11776427
6-(3-aminophenyl)pyridine-3-carboxamide
CID 174708231
6-[3-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-5-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90664748
4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide
CID 58478012
3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
CID 10338813
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
6-(3-methylphenoxy)pyridine-3-carboximidamide
CID 24705712
5-[5-(3-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide
CID 73058281
3-(4-chlorophenyl)benzenecarboximidamide
CID 6345111
3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
CID 89250354

Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide?
The IUPAC name of 6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide (CID 71745309) is 6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide?
The canonical SMILES for 6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-c2cccc(-c3ccc(/C(N)=N/[H])cn3)c2)nc1.
What is the InChIKey of 6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide?
The InChIKey is UPYMPGKSJWULPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c19-17(20)13-4-6-15(23-9-13)11-2-1-3-12(8-11)16-7-5-14(10-24-16)18(21)22/h1-10H,(H3,19,20)(H3,21,22).
What are the key properties of 6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide?
6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide has a molecular weight of 316.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide is sourced from PubChem (CID 71745309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).