N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide

C32H37ClN6O4 — CID 163767680

About N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide

N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide (PubChem CID 163767680) has the molecular formula C32H37ClN6O4 and a molecular weight of 605.14 g/mol. Its IUPAC name is N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide
• PubChem CID: 163767680
• Molecular Formula: C32H37ClN6O4
• Molecular Weight: 605.14 g/mol
• Exact Mass: 604.26
• IUPAC Name: N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide
• SMILES: COc1cc(OC)c(Cl)c(-c2cc3cnc(NCCN4CCCCC4)nc3n(CCc3ccc(NC(C)=O)cc3)c2=O)c1
• InChI: InChI=1S/C32H37ClN6O4/c1-21(40)36-24-9-7-22(8-10-24)11-15-39-30-23(20-35-32(37-30)34-12-16-38-13-5-4-6-14-38)17-27(31(39)41)26-18-25(42-2)19-28(43-3)29(26)33/h7-10,17-20H,4-6,11-16H2,1-3H3,(H,36,40)(H,34,35,37)
• InChIKey: MDTLITVZNAJTLG-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 110.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.14
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide?

The IUPAC name of N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide (CID 163767680) is N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide?

The canonical SMILES for N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide is COc1cc(OC)c(Cl)c(-c2cc3cnc(NCCN4CCCCC4)nc3n(CCc3ccc(NC(C)=O)cc3)c2=O)c1.

What is the InChIKey of N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide?

The InChIKey is MDTLITVZNAJTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37ClN6O4/c1-21(40)36-24-9-7-22(8-10-24)11-15-39-30-23(20-35-32(37-30)34-12-16-38-13-5-4-6-14-38)17-27(31(39)41)26-18-25(42-2)19-28(43-3)29(26)33/h7-10,17-20H,4-6,11-16H2,1-3H3,(H,36,40)(H,34,35,37).

What are the key properties of N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide?

N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide has a molecular weight of 605.14 g/mol, XLogP of 5.23, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 163767680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).