2-(benzenecarboximidoyl)pyridin-3-amine

C12H11N3 — CID 142289828

IUPAC2-(benzenecarboximidoyl)pyridin-3-amine
SMILES[H]/N=C(\c1ccccc1)c1ncccc1N
InChIInChI=1S/C12H11N3/c13-10-7-4-8-15-12(10)11(14)9-5-2-1-3-6-9/h1-8,14H,13H2/b14-11+
InChIKeyNVINEZRVQZWIAN-SDNWHVSQSA-N
MW197.24 g/mol
LogP2.08
Rot. Bonds2

About 2-(benzenecarboximidoyl)pyridin-3-amine

2-(benzenecarboximidoyl)pyridin-3-amine (PubChem CID 142289828) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(benzenecarboximidoyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(benzenecarboximidoyl)pyridin-3-amine
PubChem CID142289828
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name2-(benzenecarboximidoyl)pyridin-3-amine
SMILES[H]/N=C(\c1ccccc1)c1ncccc1N
InChIInChI=1S/C12H11N3/c13-10-7-4-8-15-12(10)11(14)9-5-2-1-3-6-9/h1-8,14H,13H2/b14-11+
InChIKeyNVINEZRVQZWIAN-SDNWHVSQSA-N
XLogP2.08
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenecarboximidoyl)pyridin-3-amine?
The IUPAC name of 2-(benzenecarboximidoyl)pyridin-3-amine (CID 142289828) is 2-(benzenecarboximidoyl)pyridin-3-amine.
What is the SMILES notation for 2-(benzenecarboximidoyl)pyridin-3-amine?
The canonical SMILES for 2-(benzenecarboximidoyl)pyridin-3-amine is [H]/N=C(\c1ccccc1)c1ncccc1N.
What is the InChIKey of 2-(benzenecarboximidoyl)pyridin-3-amine?
The InChIKey is NVINEZRVQZWIAN-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H11N3/c13-10-7-4-8-15-12(10)11(14)9-5-2-1-3-6-9/h1-8,14H,13H2/b14-11+.
What are the key properties of 2-(benzenecarboximidoyl)pyridin-3-amine?
2-(benzenecarboximidoyl)pyridin-3-amine has a molecular weight of 197.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenecarboximidoyl)pyridin-3-amine is sourced from PubChem (CID 142289828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).