4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine

C29H41N5 — CID 142583595

IUPAC4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine
SMILESC=C(NC1=CC2=CC(/C(N)=C/C)=CCC2(C)C=C1)C1=CC(N(C)C2CCN(C)CC2)=NCC1C
InChIInChI=1S/C29H41N5/c1-7-27(30)22-8-12-29(4)13-9-24(17-23(29)16-22)32-21(3)26-18-28(31-19-20(26)2)34(6)25-10-14-33(5)15-11-25/h7-9,13,16-18,20,25,32H,3,10-12,14-15,19,30H2,1-2,4-6H3/b27-7-
InChIKeyCLFFIVGPVAXXEO-FEDGQQDLSA-N
MW459.68 g/mol
LogP4.67
Rot. Bonds5

About 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine

4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine (PubChem CID 142583595) has the molecular formula C29H41N5 and a molecular weight of 459.68 g/mol. Its IUPAC name is 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine.

Molecular Properties

Compound Name4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine
PubChem CID142583595
Molecular FormulaC29H41N5
Molecular Weight459.68 g/mol
Exact Mass459.34
IUPAC Name4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine
SMILESC=C(NC1=CC2=CC(/C(N)=C/C)=CCC2(C)C=C1)C1=CC(N(C)C2CCN(C)CC2)=NCC1C
InChIInChI=1S/C29H41N5/c1-7-27(30)22-8-12-29(4)13-9-24(17-23(29)16-22)32-21(3)26-18-28(31-19-20(26)2)34(6)25-10-14-33(5)15-11-25/h7-9,13,16-18,20,25,32H,3,10-12,14-15,19,30H2,1-2,4-6H3/b27-7-
InChIKeyCLFFIVGPVAXXEO-FEDGQQDLSA-N
XLogP4.67
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.68
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine with MolForge

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Related Compounds

2-(3-piperidin-1-ylpropyl)-3a,4,7,8-tetrahydro-1H-perimidine
CID 89636817
N-[(1Z)-1-(6-ethenylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-6-[(1-methylpiperidin-4-yl)methyl]-2,4a,5,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-amine
CID 91067657
N-methyl-7-[(2E,4Z)-6-(1-methylpiperidin-4-yl)hepta-2,4,6-trien-3-yl]-2,3-dihydropyrido[3,4-b]pyrazin-5-amine
CID 132039311
1-cyclobutyl-N-[[3-(2,6-dimethylidenepiperidin-3-yl)-2-methyl-4-methylidene-5,6-dihydroquinazolin-5-yl]methyl]ethenamine
CID 132064841
6-[2-(3,4-dihydropyridin-3-yl)-4-methylimino-8,8a-dihydro-3H-quinazolin-6-yl]cyclohexa-1,3-dien-1-amine
CID 137285048
N-ethenyl-6-ethyl-4-[(E)-2,3,3-trimethyl-1-[2-methylidene-3-(4-methylidenepiperidin-1-yl)pyrazin-1-yl]but-1-enyl]cyclohexa-1,5-dien-1-amine
CID 139506711
1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N-ethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene
CID 142510937
(2E)-1-[4-cyclopropylidene-7-[(2S,6S)-2,6-dimethylpiperidin-4-yl]pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511148
4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine
CID 142511178
(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-(9-methyl-4-methylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)penta-2,4-dien-1-imine
CID 142511208
(2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511249
4-cyclobutylidene-7-(4-ethyl-4-methylpiperidin-1-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrido[1,2-a]pyrimidine
CID 142511279

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine?
The IUPAC name of 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine (CID 142583595) is 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine.
What is the SMILES notation for 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine?
The canonical SMILES for 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine is C=C(NC1=CC2=CC(/C(N)=C/C)=CCC2(C)C=C1)C1=CC(N(C)C2CCN(C)CC2)=NCC1C.
What is the InChIKey of 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine?
The InChIKey is CLFFIVGPVAXXEO-FEDGQQDLSA-N. The full InChI is InChI=1S/C29H41N5/c1-7-27(30)22-8-12-29(4)13-9-24(17-23(29)16-22)32-21(3)26-18-28(31-19-20(26)2)34(6)25-10-14-33(5)15-11-25/h7-9,13,16-18,20,25,32H,3,10-12,14-15,19,30H2,1-2,4-6H3/b27-7-.
What are the key properties of 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine?
4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine has a molecular weight of 459.68 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine is sourced from PubChem (CID 142583595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).