1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

C20H26N6O2 — CID 53165763

IUPAC1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccncc1)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C20H26N6O2/c27-20(23-13-16-1-5-21-6-2-16)17-3-7-25(8-4-17)18-14-22-15-24-19(18)26-9-11-28-12-10-26/h1-2,5-6,14-15,17H,3-4,7-13H2,(H,23,27)
InChIKeyYJPRZIQUQCTTPO-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.24
Rot. Bonds5

About 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 53165763) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID53165763
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccncc1)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C20H26N6O2/c27-20(23-13-16-1-5-21-6-2-16)17-3-7-25(8-4-17)18-14-22-15-24-19(18)26-9-11-28-12-10-26/h1-2,5-6,14-15,17H,3-4,7-13H2,(H,23,27)
InChIKeyYJPRZIQUQCTTPO-UHFFFAOYSA-N
XLogP1.24
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (CID 53165763) is 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccncc1)C1CCN(c2cncnc2N2CCOCC2)CC1.
What is the InChIKey of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is YJPRZIQUQCTTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c27-20(23-13-16-1-5-21-6-2-16)17-3-7-25(8-4-17)18-14-22-15-24-19(18)26-9-11-28-12-10-26/h1-2,5-6,14-15,17H,3-4,7-13H2,(H,23,27).
What are the key properties of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53165763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).