N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-3-fluoro-4-piperazin-1-yl-1,2-dihydropyridin-5-amine

C19H24ClFN6 — CID 168937038

About N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-3-fluoro-4-piperazin-1-yl-1,2-dihydropyridin-5-amine

N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-3-fluoro-4-piperazin-1-yl-1,2-dihydropyridin-5-amine (PubChem CID 168937038) has the molecular formula C19H24ClFN6 and a molecular weight of 390.89 g/mol. Its IUPAC name is N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-3-fluoro-4-piperazin-1-yl-1,2-dihydropyridin-5-amine.

Molecular Properties

• Compound Name: N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-3-fluoro-4-piperazin-1-yl-1,2-dihydropyridin-5-amine
• PubChem CID: 168937038
• Molecular Formula: C19H24ClFN6
• Molecular Weight: 390.89 g/mol
• Exact Mass: 390.17
• IUPAC Name: N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-3-fluoro-4-piperazin-1-yl-1,2-dihydropyridin-5-amine
• SMILES: C=N/C=C\N=C1\C=C(Cl)C(CNC2=CNCC(F)=C2N2CCNCC2)=CC1
• InChI: InChI=1S/C19H24ClFN6/c1-22-4-5-25-15-3-2-14(16(20)10-15)11-26-18-13-24-12-17(21)19(18)27-8-6-23-7-9-27/h2,4-5,10,13,23-24,26H,1,3,6-9,11-12H2/b5-4-,25-15+
• InChIKey: IUQDNQIOMPKHON-OBBKHQEJSA-N
• XLogP: 2.17
• TPSA: 64.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.89
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-3-fluoro-4-piperazin-1-yl-1,2-dihydropyridin-5-amine?

The IUPAC name of N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-3-fluoro-4-piperazin-1-yl-1,2-dihydropyridin-5-amine (CID 168937038) is N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-3-fluoro-4-piperazin-1-yl-1,2-dihydropyridin-5-amine.

What is the SMILES notation for N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-3-fluoro-4-piperazin-1-yl-1,2-dihydropyridin-5-amine?

The canonical SMILES for N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-3-fluoro-4-piperazin-1-yl-1,2-dihydropyridin-5-amine is C=N/C=C\N=C1\C=C(Cl)C(CNC2=CNCC(F)=C2N2CCNCC2)=CC1.

What is the InChIKey of N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-3-fluoro-4-piperazin-1-yl-1,2-dihydropyridin-5-amine?

The InChIKey is IUQDNQIOMPKHON-OBBKHQEJSA-N. The full InChI is InChI=1S/C19H24ClFN6/c1-22-4-5-25-15-3-2-14(16(20)10-15)11-26-18-13-24-12-17(21)19(18)27-8-6-23-7-9-27/h2,4-5,10,13,23-24,26H,1,3,6-9,11-12H2/b5-4-,25-15+.

What are the key properties of N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-3-fluoro-4-piperazin-1-yl-1,2-dihydropyridin-5-amine?

N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-3-fluoro-4-piperazin-1-yl-1,2-dihydropyridin-5-amine has a molecular weight of 390.89 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-3-fluoro-4-piperazin-1-yl-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 168937038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).