[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone

C23H24N4O4 — CID 18444285

IUPAC[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCN(c4ccc(O)cn4)CC3)n2)cc1OC
InChIInChI=1S/C23H24N4O4/c1-30-20-8-6-16(14-21(20)31-2)18-4-3-5-19(25-18)23(29)27-12-10-26(11-13-27)22-9-7-17(28)15-24-22/h3-9,14-15,28H,10-13H2,1-2H3
InChIKeyNDHBLWUXJOVGSQ-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.83
Rot. Bonds5

About [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone

[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 18444285) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID18444285
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCN(c4ccc(O)cn4)CC3)n2)cc1OC
InChIInChI=1S/C23H24N4O4/c1-30-20-8-6-16(14-21(20)31-2)18-4-3-5-19(25-18)23(29)27-12-10-26(11-13-27)22-9-7-17(28)15-24-22/h3-9,14-15,28H,10-13H2,1-2H3
InChIKeyNDHBLWUXJOVGSQ-UHFFFAOYSA-N
XLogP2.83
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 18444282
[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 42110700
ethyl 6-[2-[4-[6-(3,4-dimethoxyphenyl)pyridine-2-carbonyl]piperazin-1-yl]phenoxy]hexanoate
CID 139945105
6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 31662337
6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid
CID 141058986
[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 42110699
[4-(4-chlorophenyl)piperazin-1-yl]-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
CID 4535152
[6-(4-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211403
1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42110691
6-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053129
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4259485
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 15998425

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone (CID 18444285) is [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone is COc1ccc(-c2cccc(C(=O)N3CCN(c4ccc(O)cn4)CC3)n2)cc1OC.
What is the InChIKey of [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is NDHBLWUXJOVGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-30-20-8-6-16(14-21(20)31-2)18-4-3-5-19(25-18)23(29)27-12-10-26(11-13-27)22-9-7-17(28)15-24-22/h3-9,14-15,28H,10-13H2,1-2H3.
What are the key properties of [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone?
[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 420.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 18444285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).