2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide

C22H27N5O3 — CID 51593275

IUPAC2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)C[C@@H](C)O1
InChIInChI=1S/C22H27N5O3/c1-14-11-27(12-15(2)30-14)13-19(28)24-17-8-6-16(7-9-17)20-25-22(29)18-5-4-10-23-21(18)26(20)3/h4-10,14-15,20H,11-13H2,1-3H3,(H,24,28)(H,25,29)/t14-,15-,20-/m1/s1
InChIKeyFVTSNDUGBJDVKF-STXHMFSFSA-N
MW409.49 g/mol
LogP2.01
Rot. Bonds4

About 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide

2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide (PubChem CID 51593275) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
PubChem CID51593275
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)C[C@@H](C)O1
InChIInChI=1S/C22H27N5O3/c1-14-11-27(12-15(2)30-14)13-19(28)24-17-8-6-16(7-9-17)20-25-22(29)18-5-4-10-23-21(18)26(20)3/h4-10,14-15,20H,11-13H2,1-3H3,(H,24,28)(H,25,29)/t14-,15-,20-/m1/s1
InChIKeyFVTSNDUGBJDVKF-STXHMFSFSA-N
XLogP2.01
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide?
The IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide (CID 51593275) is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide?
The canonical SMILES for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide is C[C@@H]1CN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)C[C@@H](C)O1.
What is the InChIKey of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide?
The InChIKey is FVTSNDUGBJDVKF-STXHMFSFSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-14-11-27(12-15(2)30-14)13-19(28)24-17-8-6-16(7-9-17)20-25-22(29)18-5-4-10-23-21(18)26(20)3/h4-10,14-15,20H,11-13H2,1-3H3,(H,24,28)(H,25,29)/t14-,15-,20-/m1/s1.
What are the key properties of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide?
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide is sourced from PubChem (CID 51593275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).