[4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone

C17H20N4O2 — CID 50742570

IUPAC[4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Oc3ccc(N)cn3)cc2)CC1
InChIInChI=1S/C17H20N4O2/c1-20-8-10-21(11-9-20)17(22)13-2-5-15(6-3-13)23-16-7-4-14(18)12-19-16/h2-7,12H,8-11,18H2,1H3
InChIKeyDRPQTNFOCMRLOR-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.84
Rot. Bonds3

About [4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone

[4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 50742570) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID50742570
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Oc3ccc(N)cn3)cc2)CC1
InChIInChI=1S/C17H20N4O2/c1-20-8-10-21(11-9-20)17(22)13-2-5-15(6-3-13)23-16-7-4-14(18)12-19-16/h2-7,12H,8-11,18H2,1H3
InChIKeyDRPQTNFOCMRLOR-UHFFFAOYSA-N
XLogP1.84
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone
CID 18673928
pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 78824899
6-(4-methylphenoxy)pyridin-3-amine
CID 4763818
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
[6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119559842
(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 2995586
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 91665654
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone
CID 18673901
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
[6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55787670

Frequently Asked Questions

What is the IUPAC name of [4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 50742570) is [4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(Oc3ccc(N)cn3)cc2)CC1.
What is the InChIKey of [4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DRPQTNFOCMRLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20-8-10-21(11-9-20)17(22)13-2-5-15(6-3-13)23-16-7-4-14(18)12-19-16/h2-7,12H,8-11,18H2,1H3.
What are the key properties of [4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-amino-2-pyridinyl)oxy]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 50742570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).