ethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide

C25H31N5O3 — CID 143450352

IUPACethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide
SMILESCC.Cc1cccc(C(=O)Nc2nc(OCCc3ccccn3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H25N5O3.C2H6/c1-17-5-4-6-18(15-17)22(29)27-23-25-20(28-10-13-30-14-11-28)16-21(26-23)31-12-8-19-7-2-3-9-24-19;1-2/h2-7,9,15-16H,8,10-14H2,1H3,(H,25,26,27,29);1-2H3
InChIKeyVQSOGHAPRYEFCT-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.92
Rot. Bonds7

About ethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide

ethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide (PubChem CID 143450352) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is ethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Nameethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide
PubChem CID143450352
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Nameethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide
SMILESCC.Cc1cccc(C(=O)Nc2nc(OCCc3ccccn3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H25N5O3.C2H6/c1-17-5-4-6-18(15-17)22(29)27-23-25-20(28-10-13-30-14-11-28)16-21(26-23)31-12-8-19-7-2-3-9-24-19;1-2/h2-7,9,15-16H,8,10-14H2,1H3,(H,25,26,27,29);1-2H3
InChIKeyVQSOGHAPRYEFCT-UHFFFAOYSA-N
XLogP3.92
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide?
The IUPAC name of ethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide (CID 143450352) is ethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide.
What is the SMILES notation for ethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide?
The canonical SMILES for ethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide is CC.Cc1cccc(C(=O)Nc2nc(OCCc3ccccn3)cc(N3CCOCC3)n2)c1.
What is the InChIKey of ethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide?
The InChIKey is VQSOGHAPRYEFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3.C2H6/c1-17-5-4-6-18(15-17)22(29)27-23-25-20(28-10-13-30-14-11-28)16-21(26-23)31-12-8-19-7-2-3-9-24-19;1-2/h2-7,9,15-16H,8,10-14H2,1H3,(H,25,26,27,29);1-2H3.
What are the key properties of ethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide?
ethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide has a molecular weight of 449.56 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]benzamide is sourced from PubChem (CID 143450352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).