N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide

C30H30N10O3 — CID 67517752

About N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide

N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide (PubChem CID 67517752) has the molecular formula C30H30N10O3 and a molecular weight of 578.64 g/mol. Its IUPAC name is N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide
• PubChem CID: 67517752
• Molecular Formula: C30H30N10O3
• Molecular Weight: 578.64 g/mol
• Exact Mass: 578.25
• IUPAC Name: N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide
• SMILES: CN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(-c5cnn(C)c5)cc4n3)cn2)cc1
• InChI: InChI=1S/C30H30N10O3/c1-38(2)29(41)19-4-7-23(8-5-19)34-30(42)36-25-9-6-20(15-31-25)27-35-24-14-21(22-17-33-39(3)18-22)16-32-26(24)28(37-27)40-10-12-43-13-11-40/h4-9,14-18H,10-13H2,1-3H3,(H2,31,34,36,42)
• InChIKey: LKWRYMPGTJZGGV-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 143.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.64
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide?

The IUPAC name of N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide (CID 67517752) is N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide.

What is the SMILES notation for N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide?

The canonical SMILES for N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide is CN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(-c5cnn(C)c5)cc4n3)cn2)cc1.

What is the InChIKey of N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide?

The InChIKey is LKWRYMPGTJZGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N10O3/c1-38(2)29(41)19-4-7-23(8-5-19)34-30(42)36-25-9-6-20(15-31-25)27-35-24-14-21(22-17-33-39(3)18-22)16-32-26(24)28(37-27)40-10-12-43-13-11-40/h4-9,14-18H,10-13H2,1-3H3,(H2,31,34,36,42).

What are the key properties of N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide?

N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide has a molecular weight of 578.64 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-pyridinyl]carbamoylamino]benzamide is sourced from PubChem (CID 67517752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).