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

C25H35N7O3 — CID 67177466

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

N-ethyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide (PubChem CID 67177466) has the molecular formula C25H35N7O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-ethyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide.

Molecular Properties

• Compound Name: N-ethyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide
• PubChem CID: 67177466
• Molecular Formula: C25H35N7O3
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.28
• IUPAC Name: N-ethyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide
• SMILES: CCNC(=O)CN1CCc2c(nc(-c3ccc(NC(=O)NCC)cc3)nc2N2CCOC[C@@H]2C)C1
• InChI: InChI=1S/C25H35N7O3/c1-4-26-22(33)15-31-11-10-20-21(14-31)29-23(30-24(20)32-12-13-35-16-17(32)3)18-6-8-19(9-7-18)28-25(34)27-5-2/h6-9,17H,4-5,10-16H2,1-3H3,(H,26,33)(H2,27,28,34)/t17-/m0/s1
• InChIKey: OUTJLIMBFOQTRI-KRWDZBQOSA-N
• XLogP: 2.00
• TPSA: 111.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-ethyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide (CID 67177466) is N-ethyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide.

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

The canonical SMILES for N-ethyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide is CCNC(=O)CN1CCc2c(nc(-c3ccc(NC(=O)NCC)cc3)nc2N2CCOC[C@@H]2C)C1.

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

The InChIKey is OUTJLIMBFOQTRI-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H35N7O3/c1-4-26-22(33)15-31-11-10-20-21(14-31)29-23(30-24(20)32-12-13-35-16-17(32)3)18-6-8-19(9-7-18)28-25(34)27-5-2/h6-9,17H,4-5,10-16H2,1-3H3,(H,26,33)(H2,27,28,34)/t17-/m0/s1.

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

N-ethyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide has a molecular weight of 481.60 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[2-[4-(ethylcarbamoylamino)phenyl]-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide is sourced from PubChem (CID 67177466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).