3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide

C24H20ClN5O2 — CID 57442163

IUPAC3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nc(N3CCOCC3)c3ccc(-c4ccc(Cl)cc4)nc3n2)c1
InChIInChI=1S/C24H20ClN5O2/c25-18-6-4-15(5-7-18)20-9-8-19-23(27-20)28-22(17-3-1-2-16(14-17)21(26)31)29-24(19)30-10-12-32-13-11-30/h1-9,14H,10-13H2,(H2,26,31)
InChIKeyGZLXAPUFILFFFZ-UHFFFAOYSA-N
MW445.91 g/mol
LogP3.95
Rot. Bonds4

About 3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide

3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide (PubChem CID 57442163) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is 3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide
PubChem CID57442163
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC Name3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nc(N3CCOCC3)c3ccc(-c4ccc(Cl)cc4)nc3n2)c1
InChIInChI=1S/C24H20ClN5O2/c25-18-6-4-15(5-7-18)20-9-8-19-23(27-20)28-22(17-3-1-2-16(14-17)21(26)31)29-24(19)30-10-12-32-13-11-30/h1-9,14H,10-13H2,(H2,26,31)
InChIKeyGZLXAPUFILFFFZ-UHFFFAOYSA-N
XLogP3.95
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide?
The IUPAC name of 3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide (CID 57442163) is 3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide.
What is the SMILES notation for 3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide?
The canonical SMILES for 3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide is NC(=O)c1cccc(-c2nc(N3CCOCC3)c3ccc(-c4ccc(Cl)cc4)nc3n2)c1.
What is the InChIKey of 3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide?
The InChIKey is GZLXAPUFILFFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c25-18-6-4-15(5-7-18)20-9-8-19-23(27-20)28-22(17-3-1-2-16(14-17)21(26)31)29-24(19)30-10-12-32-13-11-30/h1-9,14H,10-13H2,(H2,26,31).
What are the key properties of 3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide?
3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide has a molecular weight of 445.91 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(4-chlorophenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 57442163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).