4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide

C19H17N5 — CID 58478012

IUPAC4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(C)=N/[H])nc3)cn2)cc1
InChIInChI=1S/C19H17N5/c1-12(20)17-8-6-15(10-23-17)16-7-9-18(24-11-16)13-2-4-14(5-3-13)19(21)22/h2-11,20H,1H3,(H3,21,22)/b20-12+
InChIKeyMHXSTYYZCFQTBV-UDWIEESQSA-N
MW315.38 g/mol
LogP3.48
Rot. Bonds4

About 4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide

4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide (PubChem CID 58478012) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide
PubChem CID58478012
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(C)=N/[H])nc3)cn2)cc1
InChIInChI=1S/C19H17N5/c1-12(20)17-8-6-15(10-23-17)16-7-9-18(24-11-16)13-2-4-14(5-3-13)19(21)22/h2-11,20H,1H3,(H3,21,22)/b20-12+
InChIKeyMHXSTYYZCFQTBV-UDWIEESQSA-N
XLogP3.48
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.48
H-Bond Donors ≤ 53
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
4-ethanimidoylbenzenecarboximidamide
CID 148687988
6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide
CID 71745309
N'-methoxy-4-[6-[4-[(E)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]benzenecarboximidamide
CID 11849847
5-[3-(4-carbamimidoylphenoxy)propoxy]pyridine-2-carboximidamide
CID 150821261
4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide
CID 67124587
ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide
CID 59836613
5-[3-(6-carbamimidoyl-3-pyridinyl)-1,2-oxazol-5-yl]pyridine-2-carboximidamide;dihydrochloride
CID 90665246

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide?
The IUPAC name of 4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide (CID 58478012) is 4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide.
What is the SMILES notation for 4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide?
The canonical SMILES for 4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(C)=N/[H])nc3)cn2)cc1.
What is the InChIKey of 4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide?
The InChIKey is MHXSTYYZCFQTBV-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17N5/c1-12(20)17-8-6-15(10-23-17)16-7-9-18(24-11-16)13-2-4-14(5-3-13)19(21)22/h2-11,20H,1H3,(H3,21,22)/b20-12+.
What are the key properties of 4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide?
4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide has a molecular weight of 315.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide is sourced from PubChem (CID 58478012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).