N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide

C23H27N5O3 — CID 157029969

About N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide

N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide (PubChem CID 157029969) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

• Compound Name: N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
• PubChem CID: 157029969
• Molecular Formula: C23H27N5O3
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.21
• IUPAC Name: N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
• SMILES: CN(CC(=O)NC12CC(C1)C2)c1nc(-c2cc(OC3COC3)ccn2)nc2c1CCC2
• InChI: InChI=1S/C23H27N5O3/c1-28(11-20(29)27-23-8-14(9-23)10-23)22-17-3-2-4-18(17)25-21(26-22)19-7-15(5-6-24-19)31-16-12-30-13-16/h5-7,14,16H,2-4,8-13H2,1H3,(H,27,29)
• InChIKey: HZNKANCPVOMFNQ-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?

The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide (CID 157029969) is N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide.

What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?

The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide is CN(CC(=O)NC12CC(C1)C2)c1nc(-c2cc(OC3COC3)ccn2)nc2c1CCC2.

What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?

The InChIKey is HZNKANCPVOMFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-28(11-20(29)27-23-8-14(9-23)10-23)22-17-3-2-4-18(17)25-21(26-22)19-7-15(5-6-24-19)31-16-12-30-13-16/h5-7,14,16H,2-4,8-13H2,1H3,(H,27,29).

What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?

N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 421.50 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-bicyclo[1.1.1]pentanyl)-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 157029969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).