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

C28H30N8O4 — CID 162704853

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

6-[[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide (PubChem CID 162704853) has the molecular formula C28H30N8O4 and a molecular weight of 542.60 g/mol. Its IUPAC name is 6-[[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide
• PubChem CID: 162704853
• Molecular Formula: C28H30N8O4
• Molecular Weight: 542.60 g/mol
• Exact Mass: 542.24
• IUPAC Name: 6-[[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)Cc4ccc(C(=O)NO)cn4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C28H30N8O4/c1-16-22-14-31-28(33-25(22)36(20-6-4-5-7-20)27(39)24(16)17(2)37)32-23-11-10-21(13-30-23)35(3)15-19-9-8-18(12-29-19)26(38)34-40/h8-14,20,40H,4-7,15H2,1-3H3,(H,34,38)(H,30,31,32,33)
• InChIKey: GXFJFZNTUCKUNO-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 155.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.60
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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

The IUPAC name of 6-[[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide (CID 162704853) is 6-[[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide.

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

The canonical SMILES for 6-[[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide is CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)Cc4ccc(C(=O)NO)cn4)cn3)nc2n(C2CCCC2)c1=O.

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

The InChIKey is GXFJFZNTUCKUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O4/c1-16-22-14-31-28(33-25(22)36(20-6-4-5-7-20)27(39)24(16)17(2)37)32-23-11-10-21(13-30-23)35(3)15-19-9-8-18(12-29-19)26(38)34-40/h8-14,20,40H,4-7,15H2,1-3H3,(H,34,38)(H,30,31,32,33).

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

6-[[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide has a molecular weight of 542.60 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 162704853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).