8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide

C32H42N8O5 — CID 137365246

IUPAC8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)CCCCCCC(=O)NO)CC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C32H42N8O5/c1-21-25-20-34-32(36-30(25)40(23-9-7-8-10-23)31(44)29(21)22(2)41)35-26-14-13-24(19-33-26)38-15-17-39(18-16-38)28(43)12-6-4-3-5-11-27(42)37-45/h13-14,19-20,23,45H,3-12,15-18H2,1-2H3,(H,37,42)(H,33,34,35,36)
InChIKeyKLFRRLUPVNCKTG-UHFFFAOYSA-N
MW618.74 g/mol
LogP4.05
Rot. Bonds12

About 8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide

8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide (PubChem CID 137365246) has the molecular formula C32H42N8O5 and a molecular weight of 618.74 g/mol. Its IUPAC name is 8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide.

Molecular Properties

Compound Name8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide
PubChem CID137365246
Molecular FormulaC32H42N8O5
Molecular Weight618.74 g/mol
Exact Mass618.33
IUPAC Name8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)CCCCCCC(=O)NO)CC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C32H42N8O5/c1-21-25-20-34-32(36-30(25)40(23-9-7-8-10-23)31(44)29(21)22(2)41)35-26-14-13-24(19-33-26)38-15-17-39(18-16-38)28(43)12-6-4-3-5-11-27(42)37-45/h13-14,19-20,23,45H,3-12,15-18H2,1-2H3,(H,37,42)(H,33,34,35,36)
InChIKeyKLFRRLUPVNCKTG-UHFFFAOYSA-N
XLogP4.05
TPSA162.65 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.74
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-8-oxooctanoate
CID 134589117
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 10173482
4-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]benzaldehyde
CID 129276161
3-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-[6-[(2-chloroacetyl)amino]hexyl]propanamide
CID 164615277
6-acetyl-8-cyclopentyl-2-[[5-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 171358775
6-acetyl-2-[[5-[4-(4-acetylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 118699829
acetic acid;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 175123063
phenyl 4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 178071479
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 5330303
6-acetyl-8-cyclopentyl-2-[[5-[4-[4-(2-hydroxyacetyl)benzoyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 158021764
6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;N-hydroxyformamide;4-methylbenzaldehyde
CID 145330774
3-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]cyclobutane-1-carboxylic acid
CID 178071364

Frequently Asked Questions

What is the IUPAC name of 8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
The IUPAC name of 8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide (CID 137365246) is 8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide.
What is the SMILES notation for 8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
The canonical SMILES for 8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)CCCCCCC(=O)NO)CC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
The InChIKey is KLFRRLUPVNCKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N8O5/c1-21-25-20-34-32(36-30(25)40(23-9-7-8-10-23)31(44)29(21)22(2)41)35-26-14-13-24(19-33-26)38-15-17-39(18-16-38)28(43)12-6-4-3-5-11-27(42)37-45/h13-14,19-20,23,45H,3-12,15-18H2,1-2H3,(H,37,42)(H,33,34,35,36).
What are the key properties of 8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide has a molecular weight of 618.74 g/mol, XLogP of 4.05, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide is sourced from PubChem (CID 137365246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).