[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H22N6O3 — CID 109096023

IUPAC[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(C(=O)N2CCN(c3ncccn3)CC2)n1)N1CCOCC1
InChIInChI=1S/C19H22N6O3/c26-17(23-7-9-25(10-8-23)19-20-5-2-6-21-19)15-3-1-4-16(22-15)18(27)24-11-13-28-14-12-24/h1-6H,7-14H2
InChIKeyNBZBSKYDEIHIDU-UHFFFAOYSA-N
MW382.42 g/mol
LogP0.31
Rot. Bonds3

About [6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109096023) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is [6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109096023
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(C(=O)N2CCN(c3ncccn3)CC2)n1)N1CCOCC1
InChIInChI=1S/C19H22N6O3/c26-17(23-7-9-25(10-8-23)19-20-5-2-6-21-19)15-3-1-4-16(22-15)18(27)24-11-13-28-14-12-24/h1-6H,7-14H2
InChIKeyNBZBSKYDEIHIDU-UHFFFAOYSA-N
XLogP0.31
TPSA91.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

morpholin-4-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109082844
(4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109095456
N,N-diethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109098942
[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109301449
morpholin-4-yl-(6-morpholin-4-yl-2-pyridinyl)methanone
CID 84575028
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018
N-(furan-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109097112
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109298958
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 122335131
(6-morpholin-4-yl-2-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 84574001
N,N-diethyl-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096024

Frequently Asked Questions

What is the IUPAC name of [6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109096023) is [6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cccc(C(=O)N2CCN(c3ncccn3)CC2)n1)N1CCOCC1.
What is the InChIKey of [6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NBZBSKYDEIHIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c26-17(23-7-9-25(10-8-23)19-20-5-2-6-21-19)15-3-1-4-16(22-15)18(27)24-11-13-28-14-12-24/h1-6H,7-14H2.
What are the key properties of [6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 382.42 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109096023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).