N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

C27H29N5O4 — CID 55963151

About N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55963151) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 55963151
• Molecular Formula: C27H29N5O4
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.22
• IUPAC Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
• SMILES: CCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc(Oc4cc(C)ccc4C)nc3)cc(C(C)C)nc21
• InChI: InChI=1S/C27H29N5O4/c1-6-32-24-23(26(34)31-27(32)35)19(12-20(30-24)15(2)3)25(33)29-14-18-9-10-22(28-13-18)36-21-11-16(4)7-8-17(21)5/h7-13,15H,6,14H2,1-5H3,(H,29,33)(H,31,34,35)
• InChIKey: FOJNHCGWNLLWFF-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 118.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 55963151) is N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc(Oc4cc(C)ccc4C)nc3)cc(C(C)C)nc21.

What is the InChIKey of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is FOJNHCGWNLLWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-6-32-24-23(26(34)31-27(32)35)19(12-20(30-24)15(2)3)25(33)29-14-18-9-10-22(28-13-18)36-21-11-16(4)7-8-17(21)5/h7-13,15H,6,14H2,1-5H3,(H,29,33)(H,31,34,35).

What are the key properties of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?

N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55963151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).