N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide

C42H54N12O8 — CID 90426479

About N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide

N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 90426479) has the molecular formula C42H54N12O8 and a molecular weight of 854.97 g/mol. Its IUPAC name is N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide
• PubChem CID: 90426479
• Molecular Formula: C42H54N12O8
• Molecular Weight: 854.97 g/mol
• Exact Mass: 854.42
• IUPAC Name: N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide
• SMILES: CN(C)CC(=O)Nc1cc(Oc2ccc(NC(=O)NC(=O)C(C)(C)C)nc2)ccn1.CN1CCC(C(=O)Nc2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3)ccn2)C1
• InChI: InChI=1S/C22H28N6O4.C20H26N6O4/c1-22(2,3)20(30)27-21(31)26-17-6-5-16(12-24-17)32-15-7-9-23-18(11-15)25-19(29)14-8-10-28(4)13-14;1-20(2,3)18(28)25-19(29)24-15-7-6-14(11-22-15)30-13-8-9-21-16(10-13)23-17(27)12-26(4)5/h5-7,9,11-12,14H,8,10,13H2,1-4H3,(H,23,25,29)(H2,24,26,27,30,31);6-11H,12H2,1-5H3,(H,21,23,27)(H2,22,24,25,28,29)
• InChIKey: LLEUPWYUCXAHMQ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 251.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	854.97
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide?

The IUPAC name of N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide (CID 90426479) is N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide.

What is the SMILES notation for N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide?

The canonical SMILES for N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide is CN(C)CC(=O)Nc1cc(Oc2ccc(NC(=O)NC(=O)C(C)(C)C)nc2)ccn1.CN1CCC(C(=O)Nc2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3)ccn2)C1.

What is the InChIKey of N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide?

The InChIKey is LLEUPWYUCXAHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4.C20H26N6O4/c1-22(2,3)20(30)27-21(31)26-17-6-5-16(12-24-17)32-15-7-9-23-18(11-15)25-19(29)14-8-10-28(4)13-14;1-20(2,3)18(28)25-19(29)24-15-7-6-14(11-22-15)30-13-8-9-21-16(10-13)23-17(27)12-26(4)5/h5-7,9,11-12,14H,8,10,13H2,1-4H3,(H,23,25,29)(H2,24,26,27,30,31);6-11H,12H2,1-5H3,(H,21,23,27)(H2,22,24,25,28,29).

What are the key properties of N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide?

N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 854.97 g/mol, XLogP of 5.32, 11 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2,2-dimethylpropanamide;N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 90426479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).