5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane

C26H32N4O2 — CID 155744979

IUPAC5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane
SMILESC1CNCCOC1.Nc1ncc(-c2ccc(C3CCOCC3)cc2)cc1-c1ccncc1
InChIInChI=1S/C21H21N3O.C5H11NO/c22-21-20(18-5-9-23-10-6-18)13-19(14-24-21)16-3-1-15(2-4-16)17-7-11-25-12-8-17;1-2-6-3-5-7-4-1/h1-6,9-10,13-14,17H,7-8,11-12H2,(H2,22,24);6H,1-5H2
InChIKeyCPIQCGTVYGXCBP-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.28
Rot. Bonds3

About 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane

5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane (PubChem CID 155744979) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane.

Molecular Properties

Compound Name5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane
PubChem CID155744979
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane
SMILESC1CNCCOC1.Nc1ncc(-c2ccc(C3CCOCC3)cc2)cc1-c1ccncc1
InChIInChI=1S/C21H21N3O.C5H11NO/c22-21-20(18-5-9-23-10-6-18)13-19(14-24-21)16-3-1-15(2-4-16)17-7-11-25-12-8-17;1-2-6-3-5-7-4-1/h1-6,9-10,13-14,17H,7-8,11-12H2,(H2,22,24);6H,1-5H2
InChIKeyCPIQCGTVYGXCBP-UHFFFAOYSA-N
XLogP4.28
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine
CID 155744978
5-[3-[(2S,3S)-3-methylpyrrolidin-2-yl]-4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine
CID 155425929
5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine
CID 155426023
5-[3-[(6R)-5-azaspiro[2.4]heptan-6-yl]-4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine
CID 155425893
3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
CID 155426012
tert-butyl (2S)-2-[5-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2-(oxan-4-yl)phenyl]pyrrolidine-1-carboxylate
CID 155425861
5-pyridin-4-yl-3-pyrimidin-5-ylpyridin-2-amine
CID 142799708
5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 90273387
4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide
CID 118046239
6-[2-amino-5-(4-piperidin-4-ylphenyl)-3-pyridinyl]-7-ethenyl-3,4-dihydro-2H-isoquinolin-1-one
CID 167196809
1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one
CID 134216128
3-(2-fluoro-4-pyridinyl)-5-[3-[(6S)-6-methylmorpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine
CID 155425820

Frequently Asked Questions

What is the IUPAC name of 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane?
The IUPAC name of 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane (CID 155744979) is 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane.
What is the SMILES notation for 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane?
The canonical SMILES for 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane is C1CNCCOC1.Nc1ncc(-c2ccc(C3CCOCC3)cc2)cc1-c1ccncc1.
What is the InChIKey of 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane?
The InChIKey is CPIQCGTVYGXCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O.C5H11NO/c22-21-20(18-5-9-23-10-6-18)13-19(14-24-21)16-3-1-15(2-4-16)17-7-11-25-12-8-17;1-2-6-3-5-7-4-1/h1-6,9-10,13-14,17H,7-8,11-12H2,(H2,22,24);6H,1-5H2.
What are the key properties of 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane?
5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane has a molecular weight of 432.57 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane is sourced from PubChem (CID 155744979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).