ethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine

C32H44N6O — CID 142467390

IUPACethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine
SMILESC=C.C=C(/C=C/c1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)o1)NC1CCN(C)CC1
InChIInChI=1S/C30H40N6O.C2H4/c1-23(33-24-12-19-35(2)20-13-24)7-8-25-9-10-30(37-25)29-21-28(26-22-31-15-11-27(26)34-29)32-14-6-18-36-16-4-3-5-17-36;1-2/h7-11,15,21-22,24,33H,1,3-6,12-14,16-20H2,2H3,(H,32,34);1-2H2/b8-7+;
InChIKeyMFMUGEIUWKBCIM-USRGLUTNSA-N
MW528.75 g/mol
LogP6.19
Rot. Bonds10

About ethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine

ethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine (PubChem CID 142467390) has the molecular formula C32H44N6O and a molecular weight of 528.75 g/mol. Its IUPAC name is ethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine.

Molecular Properties

Compound Nameethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine
PubChem CID142467390
Molecular FormulaC32H44N6O
Molecular Weight528.75 g/mol
Exact Mass528.36
IUPAC Nameethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine
SMILESC=C.C=C(/C=C/c1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)o1)NC1CCN(C)CC1
InChIInChI=1S/C30H40N6O.C2H4/c1-23(33-24-12-19-35(2)20-13-24)7-8-25-9-10-30(37-25)29-21-28(26-22-31-15-11-27(26)34-29)32-14-6-18-36-16-4-3-5-17-36;1-2/h7-11,15,21-22,24,33H,1,3-6,12-14,16-20H2,2H3,(H,32,34);1-2H2/b8-7+;
InChIKeyMFMUGEIUWKBCIM-USRGLUTNSA-N
XLogP6.19
TPSA69.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.75
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine with MolForge

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Related Compounds

1,2-Ethanediamine, N'-(2-(2-furanyl)-4-quinolinyl)-N,N-dimethyl-
CID 453072
6-(4-Piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine
CID 164946801
6-[5-(5-Carbamimidoyl-2-pyridyl)-2-furyl]pyridine-3-carboxamidine
CID 10870488
7-(5-methylfuran-2-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 66556533
6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(piperidin-4-ylmethoxy)quinolin-4-amine
CID 118607373
2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 118613614
6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-amine
CID 129072681
2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-piperidin-1-ylpropoxy)quinolin-4-amine
CID 129085365
2-(5-ethylfuran-2-yl)-6-methoxy-N-(1-methylpiperidin-4-yl)-7-(3-morpholin-4-ylpropoxy)quinolin-4-amine
CID 129085368
6-methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-piperidin-4-yloxyquinolin-4-amine
CID 129085369
2-(5-methylfuran-2-yl)-N-(pyridin-3-yl)quinoline-4-carboxamide
CID 868676
N-[(5-methyl-2-furyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
CID 16188911

Frequently Asked Questions

What is the IUPAC name of ethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine?
The IUPAC name of ethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine (CID 142467390) is ethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine.
What is the SMILES notation for ethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine?
The canonical SMILES for ethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine is C=C.C=C(/C=C/c1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)o1)NC1CCN(C)CC1.
What is the InChIKey of ethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine?
The InChIKey is MFMUGEIUWKBCIM-USRGLUTNSA-N. The full InChI is InChI=1S/C30H40N6O.C2H4/c1-23(33-24-12-19-35(2)20-13-24)7-8-25-9-10-30(37-25)29-21-28(26-22-31-15-11-27(26)34-29)32-14-6-18-36-16-4-3-5-17-36;1-2/h7-11,15,21-22,24,33H,1,3-6,12-14,16-20H2,2H3,(H,32,34);1-2H2/b8-7+;.
What are the key properties of ethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine?
ethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine has a molecular weight of 528.75 g/mol, XLogP of 6.19, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-[5-[(1E)-3-[(1-methylpiperidin-4-yl)amino]buta-1,3-dienyl]furan-2-yl]-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine is sourced from PubChem (CID 142467390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).