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

C19H24ClN5 — CID 176561715

IUPAC3-chloro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine
SMILESC=N/C=C\N=C1\C=CC(CNC2=CNCC(Cl)=C2N2CCCC2)=CC1
InChIInChI=1S/C19H24ClN5/c1-21-8-9-23-16-6-4-15(5-7-16)12-24-18-14-22-13-17(20)19(18)25-10-2-3-11-25/h4-6,8-9,14,22,24H,1-3,7,10-13H2/b9-8-,23-16-
InChIKeyWYOKZJDWMPKGPV-JRXZMNCSSA-N
MW357.89 g/mol
LogP3.07
Rot. Bonds6

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

3-chloro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine (PubChem CID 176561715) has the molecular formula C19H24ClN5 and a molecular weight of 357.89 g/mol. Its IUPAC name is 3-chloro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name3-chloro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine
PubChem CID176561715
Molecular FormulaC19H24ClN5
Molecular Weight357.89 g/mol
Exact Mass357.17
IUPAC Name3-chloro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine
SMILESC=N/C=C\N=C1\C=CC(CNC2=CNCC(Cl)=C2N2CCCC2)=CC1
InChIInChI=1S/C19H24ClN5/c1-21-8-9-23-16-6-4-15(5-7-16)12-24-18-14-22-13-17(20)19(18)25-10-2-3-11-25/h4-6,8-9,14,22,24H,1-3,7,10-13H2/b9-8-,23-16-
InChIKeyWYOKZJDWMPKGPV-JRXZMNCSSA-N
XLogP3.07
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine with MolForge

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Related Compounds

3-fluoro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine
CID 176561539
(2E,4Z,6E)-5-chloro-7-methyl-4-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]nona-2,4,6-trien-3-amine
CID 168936863
3-chloro-4-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;ethane
CID 168937192
(2E,4E,6E)-N-[[6-chloro-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-7-methyl-4-piperazin-1-ylnona-2,4,6-trien-3-amine
CID 169977800
(2E,4Z,6E)-N-[[(4E)-4-butylidene-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-5-chloro-7-methyl-4-piperazin-1-ylnona-2,4,6-trien-3-amine
CID 169977916
3-chloro-4-piperazin-1-yl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine
CID 168937193

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine?
The IUPAC name of 3-chloro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine (CID 176561715) is 3-chloro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 3-chloro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine?
The canonical SMILES for 3-chloro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine is C=N/C=C\N=C1\C=CC(CNC2=CNCC(Cl)=C2N2CCCC2)=CC1.
What is the InChIKey of 3-chloro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine?
The InChIKey is WYOKZJDWMPKGPV-JRXZMNCSSA-N. The full InChI is InChI=1S/C19H24ClN5/c1-21-8-9-23-16-6-4-15(5-7-16)12-24-18-14-22-13-17(20)19(18)25-10-2-3-11-25/h4-6,8-9,14,22,24H,1-3,7,10-13H2/b9-8-,23-16-.
What are the key properties of 3-chloro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine?
3-chloro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine has a molecular weight of 357.89 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 176561715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).