N-cyclobutyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide

C27H37N7O3 — CID 67176785

About N-cyclobutyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide

N-cyclobutyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide (PubChem CID 67176785) has the molecular formula C27H37N7O3 and a molecular weight of 507.64 g/mol. Its IUPAC name is N-cyclobutyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclobutyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide
• PubChem CID: 67176785
• Molecular Formula: C27H37N7O3
• Molecular Weight: 507.64 g/mol
• Exact Mass: 507.30
• IUPAC Name: N-cyclobutyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide
• SMILES: CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCN(CC(=O)NC2CCC2)C3)cc1
• InChI: InChI=1S/C27H37N7O3/c1-3-28-27(36)30-21-9-7-19(8-10-21)25-31-23-15-33(16-24(35)29-20-5-4-6-20)12-11-22(23)26(32-25)34-13-14-37-17-18(34)2/h7-10,18,20H,3-6,11-17H2,1-2H3,(H,29,35)(H2,28,30,36)
• InChIKey: UCTIGHNWVJGLGW-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 111.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.64
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide?

The IUPAC name of N-cyclobutyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide (CID 67176785) is N-cyclobutyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide.

What is the SMILES notation for N-cyclobutyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide?

The canonical SMILES for N-cyclobutyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide is CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCN(CC(=O)NC2CCC2)C3)cc1.

What is the InChIKey of N-cyclobutyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide?

The InChIKey is UCTIGHNWVJGLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O3/c1-3-28-27(36)30-21-9-7-19(8-10-21)25-31-23-15-33(16-24(35)29-20-5-4-6-20)12-11-22(23)26(32-25)34-13-14-37-17-18(34)2/h7-10,18,20H,3-6,11-17H2,1-2H3,(H,29,35)(H2,28,30,36).

What are the key properties of N-cyclobutyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide?

N-cyclobutyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide has a molecular weight of 507.64 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide is sourced from PubChem (CID 67176785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).