N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide

C23H29N5O4 — CID 110250625

About N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide

N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 110250625) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
• PubChem CID: 110250625
• Molecular Formula: C23H29N5O4
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.22
• IUPAC Name: N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
• SMILES: COc1ccccc1NC(=O)c1cnc(C2CCN(C(=O)CN3CCOCC3)C2)nc1C
• InChI: InChI=1S/C23H29N5O4/c1-16-18(23(30)26-19-5-3-4-6-20(19)31-2)13-24-22(25-16)17-7-8-28(14-17)21(29)15-27-9-11-32-12-10-27/h3-6,13,17H,7-12,14-15H2,1-2H3,(H,26,30)
• InChIKey: YXMJCIKLWXYBRP-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 96.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?

The IUPAC name of N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide (CID 110250625) is N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?

The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc(C2CCN(C(=O)CN3CCOCC3)C2)nc1C.

What is the InChIKey of N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?

The InChIKey is YXMJCIKLWXYBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-16-18(23(30)26-19-5-3-4-6-20(19)31-2)13-24-22(25-16)17-7-8-28(14-17)21(29)15-27-9-11-32-12-10-27/h3-6,13,17H,7-12,14-15H2,1-2H3,(H,26,30).

What are the key properties of N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?

N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110250625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).