4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine

C16H13N5 — CID 144529735

IUPAC4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine
SMILES[H]/N=C(\c1ccccc1)c1cc(-c2cnccn2)ncc1N
InChIInChI=1S/C16H13N5/c17-13-9-21-14(15-10-19-6-7-20-15)8-12(13)16(18)11-4-2-1-3-5-11/h1-10,18H,17H2/b18-16+
InChIKeyPACIEMVZGPERDE-FBMGVBCBSA-N
MW275.31 g/mol
LogP2.54
Rot. Bonds3

About 4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine

4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine (PubChem CID 144529735) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine.

Molecular Properties

Compound Name4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine
PubChem CID144529735
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine
SMILES[H]/N=C(\c1ccccc1)c1cc(-c2cnccn2)ncc1N
InChIInChI=1S/C16H13N5/c17-13-9-21-14(15-10-19-6-7-20-15)8-12(13)16(18)11-4-2-1-3-5-11/h1-10,18H,17H2/b18-16+
InChIKeyPACIEMVZGPERDE-FBMGVBCBSA-N
XLogP2.54
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenecarboximidoyl)benzene-1,4-diamine
CID 142270797
2-(benzenecarboximidoyl)pyridin-3-amine
CID 142289828
4-[2-(azetidin-1-yl)pyridine-4-carboximidoyl]-6-(4-methoxy-3-pyridinyl)pyridin-3-amine
CID 144795261
4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine
CID 123860640
2-(pyridine-3-carboximidoyl)phenol
CID 168995056
6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine
CID 123726198
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one
CID 123808337
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one
CID 144529536
5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane
CID 143150930
4-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 89412732
2-(benzenecarboximidoyl)benzenecarbothioamide
CID 87473973
6-cyclopropyl-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566216

Frequently Asked Questions

What is the IUPAC name of 4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine?
The IUPAC name of 4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine (CID 144529735) is 4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine.
What is the SMILES notation for 4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine?
The canonical SMILES for 4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine is [H]/N=C(\c1ccccc1)c1cc(-c2cnccn2)ncc1N.
What is the InChIKey of 4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine?
The InChIKey is PACIEMVZGPERDE-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H13N5/c17-13-9-21-14(15-10-19-6-7-20-15)8-12(13)16(18)11-4-2-1-3-5-11/h1-10,18H,17H2/b18-16+.
What are the key properties of 4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine?
4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine has a molecular weight of 275.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine is sourced from PubChem (CID 144529735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).