N-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide

C26H34N4O2 — CID 170243339

IUPACN-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide
SMILESCCN(C(=O)C1CCCC1)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc(C=O)c1C
InChIInChI=1S/C26H34N4O2/c1-4-30(26(32)20-7-5-6-8-20)24-16-22(15-23(18-31)19(24)2)21-9-10-27-25(17-21)29-13-11-28(3)12-14-29/h9-10,15-18,20H,4-8,11-14H2,1-3H3
InChIKeyHWOXGCFFTGXDOF-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.16
Rot. Bonds6

About N-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide

N-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide (PubChem CID 170243339) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide
PubChem CID170243339
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide
SMILESCCN(C(=O)C1CCCC1)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc(C=O)c1C
InChIInChI=1S/C26H34N4O2/c1-4-30(26(32)20-7-5-6-8-20)24-16-22(15-23(18-31)19(24)2)21-9-10-27-25(17-21)29-13-11-28(3)12-14-29/h9-10,15-18,20H,4-8,11-14H2,1-3H3
InChIKeyHWOXGCFFTGXDOF-UHFFFAOYSA-N
XLogP4.16
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide (CID 170243339) is N-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide is CCN(C(=O)C1CCCC1)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc(C=O)c1C.
What is the InChIKey of N-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide?
The InChIKey is HWOXGCFFTGXDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-4-30(26(32)20-7-5-6-8-20)24-16-22(15-23(18-31)19(24)2)21-9-10-27-25(17-21)29-13-11-28(3)12-14-29/h9-10,15-18,20H,4-8,11-14H2,1-3H3.
What are the key properties of N-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide?
N-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 170243339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).