5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile

C27H29N5O3 — CID 71295191

IUPAC5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3ccc(CN4CCOCC4)cn3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C27H29N5O3/c28-17-23-15-21(2-3-25(23)35-24-6-11-33-12-7-24)22-5-8-29-27(16-22)31-26-4-1-20(18-30-26)19-32-9-13-34-14-10-32/h1-5,8,15-16,18,24H,6-7,9-14,19H2,(H,29,30,31)
InChIKeyJSUQMOCFECZQSH-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.15
Rot. Bonds7

About 5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile

5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile (PubChem CID 71295191) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile.

Molecular Properties

Compound Name5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
PubChem CID71295191
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3ccc(CN4CCOCC4)cn3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C27H29N5O3/c28-17-23-15-21(2-3-25(23)35-24-6-11-33-12-7-24)22-5-8-29-27(16-22)31-26-4-1-20(18-30-26)19-32-9-13-34-14-10-32/h1-5,8,15-16,18,24H,6-7,9-14,19H2,(H,29,30,31)
InChIKeyJSUQMOCFECZQSH-UHFFFAOYSA-N
XLogP4.15
TPSA92.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile with MolForge

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Related Compounds

(4S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53464945
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466120
(4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466295
US10155760, Example 3
CID 118419786
US10155760, Example 21
CID 118420000
US10155760, Example 22
CID 118429872
4-Methoxy-3-[2-[(3-Methoxy-4-Morpholin-4-Yl-Phenyl)amino]pyridin-4-Yl]benzenecarbonitrile
CID 71540729
IKK epsilon-IN-1
CID 51049969
Biaryl 2b
CID 123131596
2-[[6-Cyclobutyloxy-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 118725473
5''-Ethoxy-6''-(6-methyl-pyridin-2-ylamino)-[3,3'']bipyridinyl-2-carbonitrile
CID 11370949
5-[[5-(4-methoxyphenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 42610921

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
The IUPAC name of 5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile (CID 71295191) is 5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile.
What is the SMILES notation for 5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
The canonical SMILES for 5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile is N#Cc1cc(-c2ccnc(Nc3ccc(CN4CCOCC4)cn3)c2)ccc1OC1CCOCC1.
What is the InChIKey of 5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
The InChIKey is JSUQMOCFECZQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c28-17-23-15-21(2-3-25(23)35-24-6-11-33-12-7-24)22-5-8-29-27(16-22)31-26-4-1-20(18-30-26)19-32-9-13-34-14-10-32/h1-5,8,15-16,18,24H,6-7,9-14,19H2,(H,29,30,31).
What are the key properties of 5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile has a molecular weight of 471.56 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile is sourced from PubChem (CID 71295191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).