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

C31H34N10O4 — CID 162704818

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

3-[2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidin-5-yl]-N-hydroxyprop-2-ynamide (PubChem CID 162704818) has the molecular formula C31H34N10O4 and a molecular weight of 610.68 g/mol. Its IUPAC name is 3-[2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidin-5-yl]-N-hydroxyprop-2-ynamide.

Molecular Properties

• Compound Name: 3-[2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidin-5-yl]-N-hydroxyprop-2-ynamide
• PubChem CID: 162704818
• Molecular Formula: C31H34N10O4
• Molecular Weight: 610.68 g/mol
• Exact Mass: 610.28
• IUPAC Name: 3-[2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidin-5-yl]-N-hydroxyprop-2-ynamide
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCN(C)c4ncc(C#CC(=O)NO)cn4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C31H34N10O4/c1-19-24-18-33-30(37-28(24)41(22-7-5-6-8-22)29(44)27(19)20(2)42)36-25-11-10-23(17-32-25)39(3)13-14-40(4)31-34-15-21(16-35-31)9-12-26(43)38-45/h10-11,15-18,22,45H,5-8,13-14H2,1-4H3,(H,38,43)(H,32,33,36,37)
• InChIKey: IQFLHEYMJWQCBR-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 171.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.68
LogP ≤ 5	2.78
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-[2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidin-5-yl]-N-hydroxyprop-2-ynamide (CID 162704818) is 3-[2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidin-5-yl]-N-hydroxyprop-2-ynamide.

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

The canonical SMILES for 3-[2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidin-5-yl]-N-hydroxyprop-2-ynamide is CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCN(C)c4ncc(C#CC(=O)NO)cn4)cn3)nc2n(C2CCCC2)c1=O.

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

The InChIKey is IQFLHEYMJWQCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N10O4/c1-19-24-18-33-30(37-28(24)41(22-7-5-6-8-22)29(44)27(19)20(2)42)36-25-11-10-23(17-32-25)39(3)13-14-40(4)31-34-15-21(16-35-31)9-12-26(43)38-45/h10-11,15-18,22,45H,5-8,13-14H2,1-4H3,(H,38,43)(H,32,33,36,37).

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

3-[2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidin-5-yl]-N-hydroxyprop-2-ynamide has a molecular weight of 610.68 g/mol, XLogP of 2.78, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidin-5-yl]-N-hydroxyprop-2-ynamide is sourced from PubChem (CID 162704818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).