N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide

C22H28N6O4 — CID 66959238

About N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide

N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide (PubChem CID 66959238) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide
• PubChem CID: 66959238
• Molecular Formula: C22H28N6O4
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.22
• IUPAC Name: N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide
• SMILES: COCC(=O)N[C@@H](C)CNc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12
• InChI: InChI=1S/C22H28N6O4/c1-13(26-18(29)11-32-5)9-24-20-19-16(25-12-28(4)21(19)30)8-15(27-20)14-6-7-17(23-10-14)22(2,3)31/h6-8,10,12-13,31H,9,11H2,1-5H3,(H,24,27)(H,26,29)/t13-/m0/s1
• InChIKey: ACMQPCRVJNTRMM-ZDUSSCGKSA-N
• XLogP: 1.18
• TPSA: 131.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide?

The IUPAC name of N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide (CID 66959238) is N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide.

What is the SMILES notation for N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide?

The canonical SMILES for N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide is COCC(=O)N[C@@H](C)CNc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12.

What is the InChIKey of N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide?

The InChIKey is ACMQPCRVJNTRMM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H28N6O4/c1-13(26-18(29)11-32-5)9-24-20-19-16(25-12-28(4)21(19)30)8-15(27-20)14-6-7-17(23-10-14)22(2,3)31/h6-8,10,12-13,31H,9,11H2,1-5H3,(H,24,27)(H,26,29)/t13-/m0/s1.

What are the key properties of N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide?

N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide has a molecular weight of 440.50 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 66959238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).