3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine

C13H13N3O — CID 87796835

IUPAC3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine
SMILES[H]/N=C(\c1ccc(OC)cc1)c1cccnc1N
InChIInChI=1S/C13H13N3O/c1-17-10-6-4-9(5-7-10)12(14)11-3-2-8-16-13(11)15/h2-8,14H,1H3,(H2,15,16)/b14-12+
InChIKeyYQGGEVJGXHGJSC-WYMLVPIESA-N
MW227.27 g/mol
LogP2.09
Rot. Bonds3

About 3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine

3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine (PubChem CID 87796835) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine
PubChem CID87796835
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine
SMILES[H]/N=C(\c1ccc(OC)cc1)c1cccnc1N
InChIInChI=1S/C13H13N3O/c1-17-10-6-4-9(5-7-10)12(14)11-3-2-8-16-13(11)15/h2-8,14H,1H3,(H2,15,16)/b14-12+
InChIKeyYQGGEVJGXHGJSC-WYMLVPIESA-N
XLogP2.09
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)-phenylmethanimine
CID 10856767
5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184725
2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
CID 151769516
2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride
CID 144993767
4-amino-3-(6-methoxynaphthalene-2-carboximidoyl)benzamide
CID 142112568
2-amino-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 55138314
4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide
CID 89395284
5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184743
5-(benzenecarboximidoyl)-2-N-phenylpyrimidine-2,4-diamine;methoxymethane
CID 143150930
1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione
CID 86238841
2-(benzenecarboximidoyl)pyridin-3-amine
CID 142289828
5-[4-(4-methoxyphenoxy)benzenecarboximidoyl]-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 145184698

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine?
The IUPAC name of 3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine (CID 87796835) is 3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine.
What is the SMILES notation for 3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine?
The canonical SMILES for 3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine is [H]/N=C(\c1ccc(OC)cc1)c1cccnc1N.
What is the InChIKey of 3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine?
The InChIKey is YQGGEVJGXHGJSC-WYMLVPIESA-N. The full InChI is InChI=1S/C13H13N3O/c1-17-10-6-4-9(5-7-10)12(14)11-3-2-8-16-13(11)15/h2-8,14H,1H3,(H2,15,16)/b14-12+.
What are the key properties of 3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine?
3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine is sourced from PubChem (CID 87796835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).