3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide

C34H48N6O3 — CID 155489938

IUPAC3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide
SMILESCCN(C(=O)C1CCCC1)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc(C(=O)NCC2C(=O)NC(C)CC2C)c1C
InChIInChI=1S/C34H48N6O3/c1-6-40(34(43)25-9-7-8-10-25)30-19-27(26-11-12-35-31(20-26)39-15-13-38(5)14-16-39)18-28(24(30)4)32(41)36-21-29-22(2)17-23(3)37-33(29)42/h11-12,18-20,22-23,25,29H,6-10,13-17,21H2,1-5H3,(H,36,41)(H,37,42)
InChIKeyAWKLLVBGWPXMNT-UHFFFAOYSA-N
MW588.80 g/mol
LogP4.24
Rot. Bonds8

About 3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide

3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide (PubChem CID 155489938) has the molecular formula C34H48N6O3 and a molecular weight of 588.80 g/mol. Its IUPAC name is 3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide
PubChem CID155489938
Molecular FormulaC34H48N6O3
Molecular Weight588.80 g/mol
Exact Mass588.38
IUPAC Name3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide
SMILESCCN(C(=O)C1CCCC1)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc(C(=O)NCC2C(=O)NC(C)CC2C)c1C
InChIInChI=1S/C34H48N6O3/c1-6-40(34(43)25-9-7-8-10-25)30-19-27(26-11-12-35-31(20-26)39-15-13-38(5)14-16-39)18-28(24(30)4)32(41)36-21-29-22(2)17-23(3)37-33(29)42/h11-12,18-20,22-23,25,29H,6-10,13-17,21H2,1-5H3,(H,36,41)(H,37,42)
InChIKeyAWKLLVBGWPXMNT-UHFFFAOYSA-N
XLogP4.24
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.80
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide?
The IUPAC name of 3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide (CID 155489938) is 3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide.
What is the SMILES notation for 3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide?
The canonical SMILES for 3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide is CCN(C(=O)C1CCCC1)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc(C(=O)NCC2C(=O)NC(C)CC2C)c1C.
What is the InChIKey of 3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide?
The InChIKey is AWKLLVBGWPXMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N6O3/c1-6-40(34(43)25-9-7-8-10-25)30-19-27(26-11-12-35-31(20-26)39-15-13-38(5)14-16-39)18-28(24(30)4)32(41)36-21-29-22(2)17-23(3)37-33(29)42/h11-12,18-20,22-23,25,29H,6-10,13-17,21H2,1-5H3,(H,36,41)(H,37,42).
What are the key properties of 3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide?
3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide has a molecular weight of 588.80 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide is sourced from PubChem (CID 155489938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).