2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide

C28H31N9O5 — CID 162704897

About 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide

2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 162704897) has the molecular formula C28H31N9O5 and a molecular weight of 573.61 g/mol. Its IUPAC name is 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide
• PubChem CID: 162704897
• Molecular Formula: C28H31N9O5
• Molecular Weight: 573.61 g/mol
• Exact Mass: 573.24
• IUPAC Name: 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCOc4ncc(C(=O)NO)cn4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C28H31N9O5/c1-16-21-15-30-27(34-24(21)37(19-6-4-5-7-19)26(40)23(16)17(2)38)33-22-9-8-20(14-29-22)36(3)10-11-42-28-31-12-18(13-32-28)25(39)35-41/h8-9,12-15,19,41H,4-7,10-11H2,1-3H3,(H,35,39)(H,29,30,33,34)
• InChIKey: UALBYQUTJWNPKD-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 177.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.61
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide?

The IUPAC name of 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide (CID 162704897) is 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide.

What is the SMILES notation for 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide?

The canonical SMILES for 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide is CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCOc4ncc(C(=O)NO)cn4)cn3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide?

The InChIKey is UALBYQUTJWNPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N9O5/c1-16-21-15-30-27(34-24(21)37(19-6-4-5-7-19)26(40)23(16)17(2)38)33-22-9-8-20(14-29-22)36(3)10-11-42-28-31-12-18(13-32-28)25(39)35-41/h8-9,12-15,19,41H,4-7,10-11H2,1-3H3,(H,35,39)(H,29,30,33,34).

What are the key properties of 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide?

2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 573.61 g/mol, XLogP of 2.98, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 162704897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).