N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide

C30H34Cl2N6O3 — CID 11548884

About N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide

N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 11548884) has the molecular formula C30H34Cl2N6O3 and a molecular weight of 597.55 g/mol. Its IUPAC name is N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide
• PubChem CID: 11548884
• Molecular Formula: C30H34Cl2N6O3
• Molecular Weight: 597.55 g/mol
• Exact Mass: 596.21
• IUPAC Name: N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide
• SMILES: CCOc1ccc(-n2c(C(CCN)N(CCN(C)C)C(=O)Cc3ccc(Cl)c(Cl)c3)nc3ncccc3c2=O)cc1
• InChI: InChI=1S/C30H34Cl2N6O3/c1-4-41-22-10-8-21(9-11-22)38-29(35-28-23(30(38)40)6-5-15-34-28)26(13-14-33)37(17-16-36(2)3)27(39)19-20-7-12-24(31)25(32)18-20/h5-12,15,18,26H,4,13-14,16-17,19,33H2,1-3H3
• InChIKey: SASOPFKLYDVPNF-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 106.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.55
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide?

The IUPAC name of N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide (CID 11548884) is N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide.

What is the SMILES notation for N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide?

The canonical SMILES for N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide is CCOc1ccc(-n2c(C(CCN)N(CCN(C)C)C(=O)Cc3ccc(Cl)c(Cl)c3)nc3ncccc3c2=O)cc1.

What is the InChIKey of N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide?

The InChIKey is SASOPFKLYDVPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34Cl2N6O3/c1-4-41-22-10-8-21(9-11-22)38-29(35-28-23(30(38)40)6-5-15-34-28)26(13-14-33)37(17-16-36(2)3)27(39)19-20-7-12-24(31)25(32)18-20/h5-12,15,18,26H,4,13-14,16-17,19,33H2,1-3H3.

What are the key properties of N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide?

N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 597.55 g/mol, XLogP of 4.51, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 11548884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).