[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone

C22H28N6O4 — CID 155208466

IUPAC[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone
SMILESCOc1ccc(Oc2cnc(C(=O)N3CCC(/C(N)=C/C=C(N)N)CC3)cc2OC)cn1
InChIInChI=1S/C22H28N6O4/c1-30-18-11-17(26-13-19(18)32-15-3-6-21(31-2)27-12-15)22(29)28-9-7-14(8-10-28)16(23)4-5-20(24)25/h3-6,11-14H,7-10,23-25H2,1-2H3/b16-4-
InChIKeyKSOJOVYRJJBFCH-XRVIQIRUSA-N
MW440.50 g/mol
LogP1.74
Rot. Bonds7

About [4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone

[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone (PubChem CID 155208466) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is [4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone
PubChem CID155208466
Molecular FormulaC22H28N6O4
Molecular Weight440.50 g/mol
Exact Mass440.22
IUPAC Name[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone
SMILESCOc1ccc(Oc2cnc(C(=O)N3CCC(/C(N)=C/C=C(N)N)CC3)cc2OC)cn1
InChIInChI=1S/C22H28N6O4/c1-30-18-11-17(26-13-19(18)32-15-3-6-21(31-2)27-12-15)22(29)28-9-7-14(8-10-28)16(23)4-5-20(24)25/h3-6,11-14H,7-10,23-25H2,1-2H3/b16-4-
InChIKeyKSOJOVYRJJBFCH-XRVIQIRUSA-N
XLogP1.74
TPSA151.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenoxy)-2-pyridinyl]methanone
CID 138674698
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride
CID 165059205
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone
CID 138674755
[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 170265048
[4-[(3Z,5E)-6-amino-4-methoxy-7-methylocta-1,3,5-trien-3-yl]piperidin-1-yl]-(4-methoxy-5-propan-2-yloxy-2-pyridinyl)methanone
CID 176715576
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
[(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine
CID 165059166
[4-(6-amino-4-methoxy-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenoxy-2-pyridinyl)methanone
CID 138674918
[4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium
CID 176715571
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone
CID 139424753
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone?
The IUPAC name of [4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone (CID 155208466) is [4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone is COc1ccc(Oc2cnc(C(=O)N3CCC(/C(N)=C/C=C(N)N)CC3)cc2OC)cn1.
What is the InChIKey of [4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone?
The InChIKey is KSOJOVYRJJBFCH-XRVIQIRUSA-N. The full InChI is InChI=1S/C22H28N6O4/c1-30-18-11-17(26-13-19(18)32-15-3-6-21(31-2)27-12-15)22(29)28-9-7-14(8-10-28)16(23)4-5-20(24)25/h3-6,11-14H,7-10,23-25H2,1-2H3/b16-4-.
What are the key properties of [4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone?
[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone has a molecular weight of 440.50 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone is sourced from PubChem (CID 155208466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).