5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine

C17H16N4O — CID 162628374

IUPAC5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)ncc1-c1ccc(Oc2ccc(N)cn2)cc1
InChIInChI=1S/C17H16N4O/c1-11-8-16(19)20-10-15(11)12-2-5-14(6-3-12)22-17-7-4-13(18)9-21-17/h2-10H,18H2,1H3,(H2,19,20)
InChIKeyHYHPEYROVMMLQN-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.41
Rot. Bonds3

About 5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine

5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine (PubChem CID 162628374) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine
PubChem CID162628374
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)ncc1-c1ccc(Oc2ccc(N)cn2)cc1
InChIInChI=1S/C17H16N4O/c1-11-8-16(19)20-10-15(11)12-2-5-14(6-3-12)22-17-7-4-13(18)9-21-17/h2-10H,18H2,1H3,(H2,19,20)
InChIKeyHYHPEYROVMMLQN-UHFFFAOYSA-N
XLogP3.41
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
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

6-(4-methylphenoxy)pyridin-3-amine
CID 4763818
6-[4-[(5-amino-2-pyridinyl)oxy]phenoxy]pyridin-3-amine
CID 102449756
5-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-amine
CID 79728874
6-(3,4-dimethylphenoxy)pyridin-3-amine
CID 16787193
4-methyl-5-(4-phenylphenyl)pyridin-2-amine
CID 79729519
6-[4-(6-methoxy-1,3-benzodioxol-5-yl)phenoxy]pyridin-3-amine
CID 162632824
6-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 43589800
1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone
CID 18673901
1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone
CID 18673928
6-(5-fluoro-2-methylphenoxy)pyridin-3-amine
CID 102980228
6-(3-methoxyphenoxy)pyridin-3-amine
CID 806744
4-methyl-5-(3-methylphenyl)pyridin-2-amine
CID 79730061

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine?
The IUPAC name of 5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine (CID 162628374) is 5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine is Cc1cc(N)ncc1-c1ccc(Oc2ccc(N)cn2)cc1.
What is the InChIKey of 5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine?
The InChIKey is HYHPEYROVMMLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11-8-16(19)20-10-15(11)12-2-5-14(6-3-12)22-17-7-4-13(18)9-21-17/h2-10H,18H2,1H3,(H2,19,20).
What are the key properties of 5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine?
5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine has a molecular weight of 292.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-amino-2-pyridinyl)oxy]phenyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 162628374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).