2-pyridin-4-ylethanimidamide

C7H9N3 — CID 5078674

IUPAC2-pyridin-4-ylethanimidamide
SMILES[H]/N=C(\N)Cc1ccncc1
InChIInChI=1S/C7H9N3/c8-7(9)5-6-1-3-10-4-2-6/h1-4H,5H2,(H3,8,9)
InChIKeyKOVWXARDLSTZLR-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.56
Rot. Bonds2

About 2-pyridin-4-ylethanimidamide

2-pyridin-4-ylethanimidamide (PubChem CID 5078674) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-pyridin-4-ylethanimidamide.

Molecular Properties

Compound Name2-pyridin-4-ylethanimidamide
PubChem CID5078674
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2-pyridin-4-ylethanimidamide
SMILES[H]/N=C(\N)Cc1ccncc1
InChIInChI=1S/C7H9N3/c8-7(9)5-6-1-3-10-4-2-6/h1-4H,5H2,(H3,8,9)
InChIKeyKOVWXARDLSTZLR-UHFFFAOYSA-N
XLogP0.56
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.56
H-Bond Donors ≤ 52
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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Related Compounds

2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-phenylethanimidamide
CID 27787
2-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 5014974
2-(4-bromophenyl)ethanimidamide;hydrochloride
CID 21499748
2-(4-methyl-3-pyridinyl)ethanimidamide
CID 83676274
2-[4-(methylamino)phenyl]ethanimidamide
CID 161445184
2-[4-(2-methylpropyl)phenyl]ethanimidamide
CID 58177919
[1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium
CID 140688166
2-[2-(diethylamino)-4-pyridinyl]ethanimidamide
CID 83882972
2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide
CID 24696796
3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide
CID 83967871
2-(6-methyl-3-pyridinyl)ethanimidamide
CID 83676272

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylethanimidamide?
The IUPAC name of 2-pyridin-4-ylethanimidamide (CID 5078674) is 2-pyridin-4-ylethanimidamide.
What is the SMILES notation for 2-pyridin-4-ylethanimidamide?
The canonical SMILES for 2-pyridin-4-ylethanimidamide is [H]/N=C(\N)Cc1ccncc1.
What is the InChIKey of 2-pyridin-4-ylethanimidamide?
The InChIKey is KOVWXARDLSTZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c8-7(9)5-6-1-3-10-4-2-6/h1-4H,5H2,(H3,8,9).
What are the key properties of 2-pyridin-4-ylethanimidamide?
2-pyridin-4-ylethanimidamide has a molecular weight of 135.17 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylethanimidamide is sourced from PubChem (CID 5078674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).