2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide

C21H22N6O2 — CID 90784917

IUPAC2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(N(c2ccncc2)c2ncccn2)c1
InChIInChI=1S/C21H22N6O2/c28-20(16-26-11-13-29-14-12-26)25-17-3-1-4-19(15-17)27(18-5-9-22-10-6-18)21-23-7-2-8-24-21/h1-10,15H,11-14,16H2,(H,25,28)
InChIKeyJEEJHYTZTMTDKU-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.61
Rot. Bonds6

About 2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide

2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 90784917) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID90784917
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(N(c2ccncc2)c2ncccn2)c1
InChIInChI=1S/C21H22N6O2/c28-20(16-26-11-13-29-14-12-26)25-17-3-1-4-19(15-17)27(18-5-9-22-10-6-18)21-23-7-2-8-24-21/h1-10,15H,11-14,16H2,(H,25,28)
InChIKeyJEEJHYTZTMTDKU-UHFFFAOYSA-N
XLogP2.61
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide
CID 90910898
N-[3-(dimethylamino)phenyl]-2-morpholin-4-ylacetamide
CID 110483400
2-morpholin-4-yl-N-[4-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]acetamide
CID 91295105
2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353
N-[3-(aminomethyl)phenyl]-2-morpholin-4-ylacetamide
CID 16779234
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-(2-tert-butyl-4-pyridinyl)-2-morpholin-4-ylacetamide
CID 110444182
2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride
CID 21438204
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747
N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 46974295
N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 54813916
2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide
CID 91095968

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide (CID 90784917) is 2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide is O=C(CN1CCOCC1)Nc1cccc(N(c2ccncc2)c2ncccn2)c1.
What is the InChIKey of 2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is JEEJHYTZTMTDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c28-20(16-26-11-13-29-14-12-26)25-17-3-1-4-19(15-17)27(18-5-9-22-10-6-18)21-23-7-2-8-24-21/h1-10,15H,11-14,16H2,(H,25,28).
What are the key properties of 2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide?
2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 390.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 90784917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).