5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine

C21H21N3O — CID 155744978

IUPAC5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine
SMILESNc1ncc(-c2ccc(C3CCOCC3)cc2)cc1-c1ccncc1
InChIInChI=1S/C21H21N3O/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/h1-6,9-10,13-14,17H,7-8,11-12H2,(H2,22,24)
InChIKeyDDBRLEDVNRTPFM-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.29
Rot. Bonds3

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

5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine (PubChem CID 155744978) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine
PubChem CID155744978
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine
SMILESNc1ncc(-c2ccc(C3CCOCC3)cc2)cc1-c1ccncc1
InChIInChI=1S/C21H21N3O/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/h1-6,9-10,13-14,17H,7-8,11-12H2,(H2,22,24)
InChIKeyDDBRLEDVNRTPFM-UHFFFAOYSA-N
XLogP4.29
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane
CID 155744979
5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine
CID 155426023
5-[3-[(2S,3S)-3-methylpyrrolidin-2-yl]-4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine
CID 155425929
5-[3-[(6R)-5-azaspiro[2.4]heptan-6-yl]-4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine
CID 155425893
5-pyridin-4-yl-3-pyrimidin-5-ylpyridin-2-amine
CID 142799708
tert-butyl (2S)-2-[5-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2-(oxan-4-yl)phenyl]pyrrolidine-1-carboxylate
CID 155425861
4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide
CID 118046239
3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
CID 155426012
1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one
CID 134216128
5-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 171390475
3-(2-fluoro-4-pyridinyl)-5-[3-[(6S)-6-methylmorpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine
CID 155425820
4-(4-methylphenyl)oxane
CID 46222621

Frequently Asked Questions

What is the IUPAC name of 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine?
The IUPAC name of 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine (CID 155744978) is 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine.
What is the SMILES notation for 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine?
The canonical SMILES for 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine is Nc1ncc(-c2ccc(C3CCOCC3)cc2)cc1-c1ccncc1.
What is the InChIKey of 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine?
The InChIKey is DDBRLEDVNRTPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/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/h1-6,9-10,13-14,17H,7-8,11-12H2,(H2,22,24).
What are the key properties of 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine?
5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine has a molecular weight of 331.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine is sourced from PubChem (CID 155744978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).