4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine

C27H27N5O2 — CID 44521020

IUPAC4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCc1cc(Oc2ccnc(Nc3ccccc3N3CCOCC3)c2)c(-c2ccccn2)nc1C
InChIInChI=1S/C27H27N5O2/c1-19-17-25(27(30-20(19)2)23-8-5-6-11-28-23)34-21-10-12-29-26(18-21)31-22-7-3-4-9-24(22)32-13-15-33-16-14-32/h3-12,17-18H,13-16H2,1-2H3,(H,29,31)
InChIKeyKRRQSGNCPSWLHB-UHFFFAOYSA-N
MW453.55 g/mol
LogP5.53
Rot. Bonds6

About 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine

4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 44521020) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID44521020
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCc1cc(Oc2ccnc(Nc3ccccc3N3CCOCC3)c2)c(-c2ccccn2)nc1C
InChIInChI=1S/C27H27N5O2/c1-19-17-25(27(30-20(19)2)23-8-5-6-11-28-23)34-21-10-12-29-26(18-21)31-22-7-3-4-9-24(22)32-13-15-33-16-14-32/h3-12,17-18H,13-16H2,1-2H3,(H,29,31)
InChIKeyKRRQSGNCPSWLHB-UHFFFAOYSA-N
XLogP5.53
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine (CID 44521020) is 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine is Cc1cc(Oc2ccnc(Nc3ccccc3N3CCOCC3)c2)c(-c2ccccn2)nc1C.
What is the InChIKey of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is KRRQSGNCPSWLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-19-17-25(27(30-20(19)2)23-8-5-6-11-28-23)34-21-10-12-29-26(18-21)31-22-7-3-4-9-24(22)32-13-15-33-16-14-32/h3-12,17-18H,13-16H2,1-2H3,(H,29,31).
What are the key properties of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine?
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 453.55 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 44521020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).