N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine

C20H24F2N4 — CID 88905205

About N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine

N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (PubChem CID 88905205) has the molecular formula C20H24F2N4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.

Molecular Properties

• Compound Name: N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
• PubChem CID: 88905205
• Molecular Formula: C20H24F2N4
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.20
• IUPAC Name: N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
• SMILES: C=C/C=c1/cc(C2=CC(F)NC(F)=C2)cc(NC2CCNCC2)/c1=C/N
• InChI: InChI=1S/C20H24F2N4/c1-2-3-13-8-14(15-10-19(21)26-20(22)11-15)9-18(17(13)12-23)25-16-4-6-24-7-5-16/h2-3,8-12,16,19,24-26H,1,4-7,23H2/b13-3-,17-12+
• InChIKey: DCOJHJNIOVCTIQ-VLGNPCQNSA-N
• XLogP: 1.61
• TPSA: 62.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?

The IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (CID 88905205) is N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.

What is the SMILES notation for N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?

The canonical SMILES for N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is C=C/C=c1/cc(C2=CC(F)NC(F)=C2)cc(NC2CCNCC2)/c1=C/N.

What is the InChIKey of N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?

The InChIKey is DCOJHJNIOVCTIQ-VLGNPCQNSA-N. The full InChI is InChI=1S/C20H24F2N4/c1-2-3-13-8-14(15-10-19(21)26-20(22)11-15)9-18(17(13)12-23)25-16-4-6-24-7-5-16/h2-3,8-12,16,19,24-26H,1,4-7,23H2/b13-3-,17-12+.

What are the key properties of N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?

N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine has a molecular weight of 358.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is sourced from PubChem (CID 88905205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).