3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine

C21H28N4 — CID 142836541

IUPAC3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine
SMILESCNCC1CCCC1.[H]/N=C(\c1ccccc1)c1cc(C=C)cnc1N
InChIInChI=1S/C14H13N3.C7H15N/c1-2-10-8-12(14(16)17-9-10)13(15)11-6-4-3-5-7-11;1-8-6-7-4-2-3-5-7/h2-9,15H,1H2,(H2,16,17);7-8H,2-6H2,1H3/b15-13+;
InChIKeyDJMDKCUWIAUQDV-GVYCEHEKSA-N
MW336.48 g/mol
LogP4.12
Rot. Bonds5

About 3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine

3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine (PubChem CID 142836541) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine.

Molecular Properties

Compound Name3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine
PubChem CID142836541
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine
SMILESCNCC1CCCC1.[H]/N=C(\c1ccccc1)c1cc(C=C)cnc1N
InChIInChI=1S/C14H13N3.C7H15N/c1-2-10-8-12(14(16)17-9-10)13(15)11-6-4-3-5-7-11;1-8-6-7-4-2-3-5-7/h2-9,15H,1H2,(H2,16,17);7-8H,2-6H2,1H3/b15-13+;
InChIKeyDJMDKCUWIAUQDV-GVYCEHEKSA-N
XLogP4.12
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine?
The IUPAC name of 3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine (CID 142836541) is 3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine.
What is the SMILES notation for 3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine?
The canonical SMILES for 3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine is CNCC1CCCC1.[H]/N=C(\c1ccccc1)c1cc(C=C)cnc1N.
What is the InChIKey of 3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine?
The InChIKey is DJMDKCUWIAUQDV-GVYCEHEKSA-N. The full InChI is InChI=1S/C14H13N3.C7H15N/c1-2-10-8-12(14(16)17-9-10)13(15)11-6-4-3-5-7-11;1-8-6-7-4-2-3-5-7/h2-9,15H,1H2,(H2,16,17);7-8H,2-6H2,1H3/b15-13+;.
What are the key properties of 3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine?
3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine has a molecular weight of 336.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenecarboximidoyl)-5-ethenylpyridin-2-amine;1-cyclopentyl-N-methylmethanamine is sourced from PubChem (CID 142836541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).