3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide

C20H18N4O3 — CID 66710386

IUPAC3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CC(Oc2ccc(-c3cccc(O)c3)cn2)C1
InChIInChI=1S/C20H18N4O3/c25-17-5-1-3-14(9-17)15-6-7-19(22-10-15)27-18-12-24(13-18)20(26)23-16-4-2-8-21-11-16/h1-11,18,25H,12-13H2,(H,23,26)
InChIKeyCKTJAGNZSZBHQP-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.14
Rot. Bonds4

About 3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide

3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide (PubChem CID 66710386) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide
PubChem CID66710386
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CC(Oc2ccc(-c3cccc(O)c3)cn2)C1
InChIInChI=1S/C20H18N4O3/c25-17-5-1-3-14(9-17)15-6-7-19(22-10-15)27-18-12-24(13-18)20(26)23-16-4-2-8-21-11-16/h1-11,18,25H,12-13H2,(H,23,26)
InChIKeyCKTJAGNZSZBHQP-UHFFFAOYSA-N
XLogP3.14
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide
CID 130203048
N-(3-methoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247293
3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 119105538
3-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 122248088
3-[(5-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide
CID 122248895
3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide
CID 122250074
tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate
CID 134489141
(2R,6R)-2,6-dimethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 94148495
6-(hydroxymethyl)-N-(3-pyridin-3-ylphenyl)-1,4-oxazepane-4-carboxamide
CID 72918711
N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250544
3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
CID 122248492
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide?
The IUPAC name of 3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide (CID 66710386) is 3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide.
What is the SMILES notation for 3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide?
The canonical SMILES for 3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide is O=C(Nc1cccnc1)N1CC(Oc2ccc(-c3cccc(O)c3)cn2)C1.
What is the InChIKey of 3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide?
The InChIKey is CKTJAGNZSZBHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-17-5-1-3-14(9-17)15-6-7-19(22-10-15)27-18-12-24(13-18)20(26)23-16-4-2-8-21-11-16/h1-11,18,25H,12-13H2,(H,23,26).
What are the key properties of 3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide?
3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-hydroxyphenyl)-2-pyridinyl]oxy]-N-pyridin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 66710386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).