(3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone

C23H24N4O3 — CID 59374314

IUPAC(3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone
SMILESCOC1CCCN(C(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C23H24N4O3/c1-29-19-6-5-15-27(16-19)23(28)20-7-4-14-25-22(20)30-18-11-9-17(10-12-18)26-21-8-2-3-13-24-21/h2-4,7-14,19H,5-6,15-16H2,1H3,(H,24,26)
InChIKeyVBMBLEBVOTXJTF-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.26
Rot. Bonds6

About (3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone

(3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone (PubChem CID 59374314) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is (3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone
PubChem CID59374314
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name(3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone
SMILESCOC1CCCN(C(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C23H24N4O3/c1-29-19-6-5-15-27(16-19)23(28)20-7-4-14-25-22(20)30-18-11-9-17(10-12-18)26-21-8-2-3-13-24-21/h2-4,7-14,19H,5-6,15-16H2,1H3,(H,24,26)
InChIKeyVBMBLEBVOTXJTF-UHFFFAOYSA-N
XLogP4.26
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of (3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone?
The IUPAC name of (3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone (CID 59374314) is (3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone.
What is the SMILES notation for (3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone?
The canonical SMILES for (3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone is COC1CCCN(C(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1.
What is the InChIKey of (3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone?
The InChIKey is VBMBLEBVOTXJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-29-19-6-5-15-27(16-19)23(28)20-7-4-14-25-22(20)30-18-11-9-17(10-12-18)26-21-8-2-3-13-24-21/h2-4,7-14,19H,5-6,15-16H2,1H3,(H,24,26).
What are the key properties of (3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone?
(3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone has a molecular weight of 404.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]methanone is sourced from PubChem (CID 59374314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).