5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide

C26H32ClN5O3 — CID 140797070

IUPAC5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide
SMILESCc1c(CN2CCN(C(=O)C3CCCC3)C(C)C2)cc(Cl)cc1NC(=O)c1ccc(C(N)=O)nc1
InChIInChI=1S/C26H32ClN5O3/c1-16-14-31(9-10-32(16)26(35)18-5-3-4-6-18)15-20-11-21(27)12-23(17(20)2)30-25(34)19-7-8-22(24(28)33)29-13-19/h7-8,11-13,16,18H,3-6,9-10,14-15H2,1-2H3,(H2,28,33)(H,30,34)
InChIKeyQZQHEPUZEQZTTJ-UHFFFAOYSA-N
MW498.03 g/mol
LogP3.62
Rot. Bonds6

About 5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide

5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide (PubChem CID 140797070) has the molecular formula C26H32ClN5O3 and a molecular weight of 498.03 g/mol. Its IUPAC name is 5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide
PubChem CID140797070
Molecular FormulaC26H32ClN5O3
Molecular Weight498.03 g/mol
Exact Mass497.22
IUPAC Name5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide
SMILESCc1c(CN2CCN(C(=O)C3CCCC3)C(C)C2)cc(Cl)cc1NC(=O)c1ccc(C(N)=O)nc1
InChIInChI=1S/C26H32ClN5O3/c1-16-14-31(9-10-32(16)26(35)18-5-3-4-6-18)15-20-11-21(27)12-23(17(20)2)30-25(34)19-7-8-22(24(28)33)29-13-19/h7-8,11-13,16,18H,3-6,9-10,14-15H2,1-2H3,(H2,28,33)(H,30,34)
InChIKeyQZQHEPUZEQZTTJ-UHFFFAOYSA-N
XLogP3.62
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.03
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide (CID 140797070) is 5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide is Cc1c(CN2CCN(C(=O)C3CCCC3)C(C)C2)cc(Cl)cc1NC(=O)c1ccc(C(N)=O)nc1.
What is the InChIKey of 5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide?
The InChIKey is QZQHEPUZEQZTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O3/c1-16-14-31(9-10-32(16)26(35)18-5-3-4-6-18)15-20-11-21(27)12-23(17(20)2)30-25(34)19-7-8-22(24(28)33)29-13-19/h7-8,11-13,16,18H,3-6,9-10,14-15H2,1-2H3,(H2,28,33)(H,30,34).
What are the key properties of 5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide?
5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide has a molecular weight of 498.03 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 140797070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).