[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone

C23H24N4O3 — CID 59374108

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C[C@H](C)O1
InChIInChI=1S/C23H24N4O3/c1-16-14-27(15-17(2)29-16)23(28)20-6-5-13-25-22(20)30-19-10-8-18(9-11-19)26-21-7-3-4-12-24-21/h3-13,16-17H,14-15H2,1-2H3,(H,24,26)/t16-,17+
InChIKeyLVMUUQGRXKEDKX-CALCHBBNSA-N
MW404.47 g/mol
LogP4.26
Rot. Bonds5

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone (PubChem CID 59374108) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone
PubChem CID59374108
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C[C@H](C)O1
InChIInChI=1S/C23H24N4O3/c1-16-14-27(15-17(2)29-16)23(28)20-6-5-13-25-22(20)30-19-10-8-18(9-11-19)26-21-7-3-4-12-24-21/h3-13,16-17H,14-15H2,1-2H3,(H,24,26)/t16-,17+
InChIKeyLVMUUQGRXKEDKX-CALCHBBNSA-N
XLogP4.26
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone (CID 59374108) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone is C[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C[C@H](C)O1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone?
The InChIKey is LVMUUQGRXKEDKX-CALCHBBNSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-14-27(15-17(2)29-16)23(28)20-6-5-13-25-22(20)30-19-10-8-18(9-11-19)26-21-7-3-4-12-24-21/h3-13,16-17H,14-15H2,1-2H3,(H,24,26)/t16-,17+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone has a molecular weight of 404.47 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone is sourced from PubChem (CID 59374108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).