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

C32H47N7O3 — CID 91073479

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

N,N-dimethyl-2-[4-(3-methylmorpholin-4-yl)-2-[4-[2-(2-methyl-3-propylcyclopropyl)ethylcarbamoylamino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide (PubChem CID 91073479) has the molecular formula C32H47N7O3 and a molecular weight of 577.77 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(3-methylmorpholin-4-yl)-2-[4-[2-(2-methyl-3-propylcyclopropyl)ethylcarbamoylamino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[4-(3-methylmorpholin-4-yl)-2-[4-[2-(2-methyl-3-propylcyclopropyl)ethylcarbamoylamino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide
• PubChem CID: 91073479
• Molecular Formula: C32H47N7O3
• Molecular Weight: 577.77 g/mol
• Exact Mass: 577.37
• IUPAC Name: N,N-dimethyl-2-[4-(3-methylmorpholin-4-yl)-2-[4-[2-(2-methyl-3-propylcyclopropyl)ethylcarbamoylamino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide
• SMILES: CCCC1C(C)C1CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCN(CC(=O)N(C)C)C3)cc1
• InChI: InChI=1S/C32H47N7O3/c1-6-7-25-22(3)26(25)12-14-33-32(41)34-24-10-8-23(9-11-24)30-35-28-18-38(19-29(40)37(4)5)15-13-27(28)31(36-30)39-16-17-42-20-21(39)2/h8-11,21-22,25-26H,6-7,12-20H2,1-5H3,(H2,33,34,41)
• InChIKey: PXKGYGPCLDAOMQ-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 102.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.77
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N,N-dimethyl-2-[4-(3-methylmorpholin-4-yl)-2-[4-[2-(2-methyl-3-propylcyclopropyl)ethylcarbamoylamino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide (CID 91073479) is N,N-dimethyl-2-[4-(3-methylmorpholin-4-yl)-2-[4-[2-(2-methyl-3-propylcyclopropyl)ethylcarbamoylamino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide.

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

The canonical SMILES for N,N-dimethyl-2-[4-(3-methylmorpholin-4-yl)-2-[4-[2-(2-methyl-3-propylcyclopropyl)ethylcarbamoylamino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide is CCCC1C(C)C1CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCN(CC(=O)N(C)C)C3)cc1.

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

The InChIKey is PXKGYGPCLDAOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N7O3/c1-6-7-25-22(3)26(25)12-14-33-32(41)34-24-10-8-23(9-11-24)30-35-28-18-38(19-29(40)37(4)5)15-13-27(28)31(36-30)39-16-17-42-20-21(39)2/h8-11,21-22,25-26H,6-7,12-20H2,1-5H3,(H2,33,34,41).

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

N,N-dimethyl-2-[4-(3-methylmorpholin-4-yl)-2-[4-[2-(2-methyl-3-propylcyclopropyl)ethylcarbamoylamino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide has a molecular weight of 577.77 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[4-(3-methylmorpholin-4-yl)-2-[4-[2-(2-methyl-3-propylcyclopropyl)ethylcarbamoylamino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide is sourced from PubChem (CID 91073479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).