N-(2-hydroxyethyl)-5-methyl-6-[(3R)-3-methyl-4-[6-(6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide

C29H38N8O2 — CID 66838879

About N-(2-hydroxyethyl)-5-methyl-6-[(3R)-3-methyl-4-[6-(6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide

N-(2-hydroxyethyl)-5-methyl-6-[(3R)-3-methyl-4-[6-(6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 66838879) has the molecular formula C29H38N8O2 and a molecular weight of 530.68 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-methyl-6-[(3R)-3-methyl-4-[6-(6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-5-methyl-6-[(3R)-3-methyl-4-[6-(6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
• PubChem CID: 66838879
• Molecular Formula: C29H38N8O2
• Molecular Weight: 530.68 g/mol
• Exact Mass: 530.31
• IUPAC Name: N-(2-hydroxyethyl)-5-methyl-6-[(3R)-3-methyl-4-[6-(6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2cc(N3CCN(c4ncc(C(=O)NCCO)cc4C)C[C@H]3C)nc(N3CCCC3C)n2)cn1
• InChI: InChI=1S/C29H38N8O2/c1-19-14-24(28(39)30-9-13-38)17-32-27(19)35-11-12-36(22(4)18-35)26-15-25(23-8-7-20(2)31-16-23)33-29(34-26)37-10-5-6-21(37)3/h7-8,14-17,21-22,38H,5-6,9-13,18H2,1-4H3,(H,30,39)/t21?,22-/m1/s1
• InChIKey: OUQQZVXHXXISQX-FOIFJWKZSA-N
• XLogP: 2.98
• TPSA: 110.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.68
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-methyl-6-[(3R)-3-methyl-4-[6-(6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-(2-hydroxyethyl)-5-methyl-6-[(3R)-3-methyl-4-[6-(6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide (CID 66838879) is N-(2-hydroxyethyl)-5-methyl-6-[(3R)-3-methyl-4-[6-(6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(2-hydroxyethyl)-5-methyl-6-[(3R)-3-methyl-4-[6-(6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(2-hydroxyethyl)-5-methyl-6-[(3R)-3-methyl-4-[6-(6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide is Cc1ccc(-c2cc(N3CCN(c4ncc(C(=O)NCCO)cc4C)C[C@H]3C)nc(N3CCCC3C)n2)cn1.

What is the InChIKey of N-(2-hydroxyethyl)-5-methyl-6-[(3R)-3-methyl-4-[6-(6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide?

The InChIKey is OUQQZVXHXXISQX-FOIFJWKZSA-N. The full InChI is InChI=1S/C29H38N8O2/c1-19-14-24(28(39)30-9-13-38)17-32-27(19)35-11-12-36(22(4)18-35)26-15-25(23-8-7-20(2)31-16-23)33-29(34-26)37-10-5-6-21(37)3/h7-8,14-17,21-22,38H,5-6,9-13,18H2,1-4H3,(H,30,39)/t21?,22-/m1/s1.

What are the key properties of N-(2-hydroxyethyl)-5-methyl-6-[(3R)-3-methyl-4-[6-(6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide?

N-(2-hydroxyethyl)-5-methyl-6-[(3R)-3-methyl-4-[6-(6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 530.68 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-5-methyl-6-[(3R)-3-methyl-4-[6-(6-methyl-3-pyridinyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66838879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).