2-[[2-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide

C29H36N8O3 — CID 142525274

About 2-[[2-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide

2-[[2-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide (PubChem CID 142525274) has the molecular formula C29H36N8O3 and a molecular weight of 544.66 g/mol. Its IUPAC name is 2-[[2-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[2-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide
• PubChem CID: 142525274
• Molecular Formula: C29H36N8O3
• Molecular Weight: 544.66 g/mol
• Exact Mass: 544.29
• IUPAC Name: 2-[[2-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide
• SMILES: C=CCNC(=O)c1cnc(Nc2ccc3c(c2)CC(NC(=O)CN(C)C)C3)nc1Nc1cccc(C(C)(C)O)n1
• InChI: InChI=1S/C29H36N8O3/c1-6-12-30-27(39)22-16-31-28(36-26(22)35-24-9-7-8-23(34-24)29(2,3)40)33-20-11-10-18-13-21(15-19(18)14-20)32-25(38)17-37(4)5/h6-11,14,16,21,40H,1,12-13,15,17H2,2-5H3,(H,30,39)(H,32,38)(H2,31,33,34,35,36)
• InChIKey: JVMCPICCHWTEIA-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 144.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.66
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide?

The IUPAC name of 2-[[2-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide (CID 142525274) is 2-[[2-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide.

What is the SMILES notation for 2-[[2-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide?

The canonical SMILES for 2-[[2-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide is C=CCNC(=O)c1cnc(Nc2ccc3c(c2)CC(NC(=O)CN(C)C)C3)nc1Nc1cccc(C(C)(C)O)n1.

What is the InChIKey of 2-[[2-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide?

The InChIKey is JVMCPICCHWTEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8O3/c1-6-12-30-27(39)22-16-31-28(36-26(22)35-24-9-7-8-23(34-24)29(2,3)40)33-20-11-10-18-13-21(15-19(18)14-20)32-25(38)17-37(4)5/h6-11,14,16,21,40H,1,12-13,15,17H2,2-5H3,(H,30,39)(H,32,38)(H2,31,33,34,35,36).

What are the key properties of 2-[[2-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide?

2-[[2-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide has a molecular weight of 544.66 g/mol, XLogP of 2.65, 11 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-(dimethylamino)acetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide is sourced from PubChem (CID 142525274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).