5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine

C26H30N4O — CID 155426023

IUPAC5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine
SMILESNc1ncc(-c2ccc(C3CCOCC3)c(CN3CCCC3)c2)cc1-c1ccncc1
InChIInChI=1S/C26H30N4O/c27-26-25(19-5-9-28-10-6-19)16-22(17-29-26)21-3-4-24(20-7-13-31-14-8-20)23(15-21)18-30-11-1-2-12-30/h3-6,9-10,15-17,20H,1-2,7-8,11-14,18H2,(H2,27,29)
InChIKeyYLJXJTCVJHCWKO-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.88
Rot. Bonds5

About 5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine

5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine (PubChem CID 155426023) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine
PubChem CID155426023
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine
SMILESNc1ncc(-c2ccc(C3CCOCC3)c(CN3CCCC3)c2)cc1-c1ccncc1
InChIInChI=1S/C26H30N4O/c27-26-25(19-5-9-28-10-6-19)16-22(17-29-26)21-3-4-24(20-7-13-31-14-8-20)23(15-21)18-30-11-1-2-12-30/h3-6,9-10,15-17,20H,1-2,7-8,11-14,18H2,(H2,27,29)
InChIKeyYLJXJTCVJHCWKO-UHFFFAOYSA-N
XLogP4.88
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
tert-butyl (2S)-2-[5-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2-(oxan-4-yl)phenyl]pyrrolidine-1-carboxylate
CID 155425861
5-[3-[(6R)-5-azaspiro[2.4]heptan-6-yl]-4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine
CID 155425893
5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane
CID 155744979
3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
CID 155426012
6-[3-amino-6-[3-(azetidin-1-ylmethyl)-4-(oxan-4-yl)phenyl]-5-fluoropyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 166092491
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]pyridin-2-amine
CID 77106564
6-[3-amino-5-fluoro-6-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]-4-fluoro-2H-isoquinolin-1-one
CID 166092794
4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride
CID 171671238
6-[3-amino-5-fluoro-6-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-yl]-4-chloro-2H-isoquinolin-1-one
CID 166092443
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)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine?
The IUPAC name of 5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine (CID 155426023) is 5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine.
What is the SMILES notation for 5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine?
The canonical SMILES for 5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine is Nc1ncc(-c2ccc(C3CCOCC3)c(CN3CCCC3)c2)cc1-c1ccncc1.
What is the InChIKey of 5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine?
The InChIKey is YLJXJTCVJHCWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c27-26-25(19-5-9-28-10-6-19)16-22(17-29-26)21-3-4-24(20-7-13-31-14-8-20)23(15-21)18-30-11-1-2-12-30/h3-6,9-10,15-17,20H,1-2,7-8,11-14,18H2,(H2,27,29).
What are the key properties of 5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine?
5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine has a molecular weight of 414.55 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine is sourced from PubChem (CID 155426023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).